data_2n1e_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 2n1e _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 ' 1' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HG2' ' HG2' ' A' ' 17' ' ' LYS . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 16' ' ' VAL . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HE2' ' HE3' ' A' ' 8' ' ' LYS . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HE3' ' HE2' ' A' ' 6' ' ' LYS . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 N--CA 1.43 -2.236 0 N-CA-C 105.94 -2.369 . . . . 0.0 105.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 5' ' ' VAL . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HG2' ' HG2' ' A' ' 4' ' ' LYS . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t . . . . . 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.462 HG23 HG12 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.512 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.798 0 N-CA-C 119.572 2.874 . . . . 0.0 119.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 ' CG2' ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.402 HG21 HG11 ' G' ' 7' ' ' VAL . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' G' ' 20' ' ' VAL . 71.8 Cg_endo . . . . . 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . 0.512 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 1 N--CA 1.386 -4.841 0 CA-C-O 113.78 -2.675 . . . . 0.0 115.567 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 115.258 1.215 . . . . 0.0 115.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . 0.462 HG12 HG23 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . 0.452 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . 0.452 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.597 3.67 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . 0.429 HG23 HG21 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.485 HG21 HG11 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . 0.402 HG11 HG21 ' C' ' 5' ' ' VAL 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo . . . . . 0 C--O 1.263 1.769 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' C' ' 11' ' ' PRO . 24.1 m . . . . . 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 CA--C 1.586 3.092 0 N-CA-C 118.151 2.327 . . . . 0.0 118.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.485 HG11 HG21 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . 0.429 HG21 HG23 ' G' ' 1' ' ' VAL . 71.5 t . . . . . 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.141 0 CA-C-O 117.935 -0.944 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 ' O ' ' C' ' 20' ' ' VAL . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.477 -2.366 0 CA-C-O 116.083 -1.715 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.451 HG21 HG23 ' F' ' 16' ' ' VAL . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.529 HG22 HG21 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 N--CA 1.438 -1.777 0 CA-C-O 113.63 -2.737 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.441 ' O ' HG22 ' B' ' 1' ' ' VAL . 9.7 t . . . . . 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.553 1.446 0 CA-C-O 115.556 -1.935 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.529 HG21 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' E' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 C--O 1.281 2.662 0 N-CA-C 118.639 2.515 . . . . 0.0 118.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo . . . . . 0 N--CA 1.431 -2.181 0 CA-C-O 117.616 -1.077 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . 0.451 HG23 HG21 ' B' ' 16' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 N--CA 1.515 2.786 0 CA-C-O 126.37 2.571 . . . . 0.0 117.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t . . . . . 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.505 -0.973 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo . . . . . 0 N--CA 1.441 -1.597 0 N-CA-C 118.408 2.426 . . . . 0.0 118.408 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.491 -1.633 0 N-CA-C 106.529 -2.143 . . . . 0.0 106.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t . . . . . 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo . . . . . 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 CA--C 1.509 -0.764 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo . . . . . 0 CA--C 1.563 1.964 0 CA-C-O 117.396 -1.168 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t . . . . . 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--O 1.245 0.831 0 CA-C-O 117.245 -1.231 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.408 HG12 HG22 ' F' ' 3' ' ' VAL . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' H' ' 18' ' ' VAL . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' H' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 CA--C 1.484 -2.021 0 N-CA-C 107.298 -1.847 . . . . 0.0 107.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo . . . . . 0 CA--C 1.464 -2.98 0 CA-C-O 115.296 -2.043 . . . . 0.0 113.687 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.517 2.872 0 N-CA-C 114.868 1.065 . . . . 0.0 114.868 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 N--CA 1.428 -2.332 0 N-CA-C 119.176 2.721 . . . . 0.0 119.176 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 CA--C 1.486 -1.899 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 112.831 0.281 . . . . 0.0 112.831 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 1 CA--C 1.442 -4.124 0 N-CA-C 117.024 1.894 . . . . 0.0 117.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . 0.401 ' HB ' ' CG2' ' H' ' 20' ' ' VAL . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 CA--C 1.502 -1.111 0 N-CA-C 113.098 0.384 . . . . 0.0 113.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . 0.401 ' CG2' ' HB ' ' H' ' 1' ' ' VAL 0.263 23.2 t . . . . . 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.449 HG11 HG12 ' A' ' 14' ' ' VAL . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 N--CA 1.504 2.13 0 CA-C-O 122.026 0.761 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG12 HG11 ' A' ' 7' ' ' VAL . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.491 -1.637 0 N-CA-C 116.688 1.765 . . . . 0.0 116.688 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 CA--C 1.514 -0.483 0 CA-C-O 123.639 1.433 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t . . . . . 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.247 0.933 0 N-CA-C 119.302 2.77 . . . . 0.0 119.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.427 -2.422 0 CA-C-O 122.599 0.999 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' F' ' 16' ' ' VAL . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t . . . . . 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.267 1.939 0 CA-C-O 117.315 -1.202 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' F' ' 5' ' ' VAL . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo . . . . . 0 C--O 1.234 0.285 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t . . . . . 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.436 -1.911 0 CA-C-O 122.842 1.101 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.481 0.764 0 N-CA-C 115.103 1.155 . . . . 0.0 115.103 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 HG22 ' F' ' 14' ' ' VAL . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.446 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' C' ' 14' ' ' VAL . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo . . . . . 0 CA--C 1.499 -1.241 0 N-CA-C 108.65 -1.327 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' C' ' 7' ' ' VAL . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.264 1.798 0 N-CA-C 116.863 1.832 . . . . 0.0 116.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 CA--C 1.576 2.59 0 N-CA-C 105.979 -2.354 . . . . 0.0 105.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' G' ' 17' ' ' LYS . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.211 -0.84 0 N-CA-C 109.292 -1.08 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . 0.475 HG22 HG23 ' B' ' 18' ' ' VAL . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.423 -2.651 0 N-CA-C 106.407 -2.189 . . . . 0.0 106.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' F' ' 4' ' ' LYS . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.422 -2.688 0 CA-C-O 115.854 -1.811 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.251 1.138 0 N-CA-C 106.121 -2.3 . . . . 0.0 106.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.497 HG11 HG23 ' B' ' 5' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.497 HG23 HG11 ' B' ' 3' ' ' VAL . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 N--CA 1.495 1.617 0 N-CA-C 116.575 1.721 . . . . 0.0 116.575 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.419 HG23 HG11 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo . . . . . 0 C--O 1.204 -1.182 0 N-CA-C 106.766 -2.052 . . . . 0.0 106.766 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . 0.465 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 N-CA-C 113.826 0.664 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . 0.425 HG11 ' HB ' ' E' ' 14' ' ' VAL . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo . . . . . 1 N--CA 1.394 -4.327 0 CA-C-O 117.037 -1.318 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . 0.425 ' HB ' HG11 ' E' ' 7' ' ' VAL . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . 0.47 HG11 HG22 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo . . . . . 0 CA--C 1.489 -1.766 0 N-CA-C 108.573 -1.357 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' F' ' 13' ' ' LYS . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t . . . . . 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . 0.419 HG11 HG23 ' C' ' 3' ' ' VAL . 5.0 t . . . . . 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.488 -1.815 0 N-CA-C 104.402 -2.961 . . . . 0.0 104.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.47 HG22 HG11 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.468 -2.785 0 CA-C-O 117.424 -1.157 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG12 HG23 ' A' ' 12' ' ' THR . 2.9 p . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.43 -2.23 0 CA-C-O 118.433 -0.736 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.45 HG21 HG11 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 CA--C 1.56 1.798 0 CA-C-O 116.688 -1.463 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.466 HG23 HG12 ' E' ' 5' ' ' VAL . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . 0.287 1.7 m . . . . . 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.45 HG11 HG21 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . 0.466 HG12 HG23 ' B' ' 16' ' ' VAL . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 N-CA-C 104.6 -2.885 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . 0.415 ' HB2' ' HB2' ' G' ' 15' ' ' LYS . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 CA--C 1.456 -3.408 0 N-CA-C 118.264 2.371 . . . . 0.0 118.264 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' THR . . . . . 0.476 HG23 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . 0.476 HG23 HG23 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . 0.456 HG12 HG21 ' G' ' 9' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . 0.456 HG21 HG12 ' G' ' 7' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 C--O 1.274 2.323 0 N-CA-C 113.812 0.658 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . 0.415 ' HB2' ' HB2' ' F' ' 6' ' ' LYS . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.452 -3.621 0 N-CA-C 115.912 1.466 . . . . 0.0 115.912 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.4 -3.995 0 N-CA-C 115.368 1.257 . . . . 0.0 115.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.51 2.482 0 N-CA-C 116.197 1.576 . . . . 0.0 116.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.277 2.445 0 CA-C-O 113.317 -2.868 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' D' ' 18' ' ' VAL . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.246 0.878 0 CA-C-O 119.215 -0.411 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.418 ' HB ' HG21 ' D' ' 3' ' ' VAL . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.543 -0.599 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . 0.404 HG13 HG23 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' F' ' 12' ' ' THR . 47.3 t . . . . . 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.401 -3.959 0 CA-C-O 117.559 -1.1 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' F' ' 9' ' ' VAL . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 CA--C 1.577 2.65 0 N-CA-C 102.938 -3.524 . . . . 0.0 102.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . 0.404 HG23 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.483 0.866 0 CA-C-O 115.836 -1.818 . . . . 0.0 115.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t . . . . . 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.456 -0.72 0 CA-C-O 116.309 -1.621 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.54 HG21 HG21 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.418 HG21 HG23 ' C' ' 12' ' ' THR . 24.6 t . . . . . 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.501 1.926 0 CA-C-O 126.709 2.712 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.577 HG23 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.402 HG23 ' CG1' ' G' ' 20' ' ' VAL . 21.7 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.507 2.29 0 CA-C-O 116.448 -1.563 . . . . 0.0 115.635 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.418 HG23 HG21 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.237 0.437 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.577 HG13 HG23 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . 0.432 ' HG3' ' HB3' ' E' ' 15' ' ' LYS . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.464 -2.997 0 CA-C-O 118.795 -0.585 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . 0.432 ' HB3' ' HG3' ' E' ' 6' ' ' LYS . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.526 3.439 0 N-CA-C 108.271 -1.473 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . 0.449 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.403 -3.836 0 CA-C-O 115.917 -1.784 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . 0.402 ' CG1' HG23 ' C' ' 9' ' ' VAL . 15.8 m . . . . . 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.486 1.068 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.495 -1.447 0 N-CA-C 106.26 -2.246 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 N--CA 1.515 2.778 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 N--CA 1.442 -1.501 0 N-CA-C 105.606 -2.498 . . . . 0.0 105.606 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . 0.404 HG22 HG13 ' F' ' 20' ' ' VAL . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.435 -1.917 0 N-CA-C 116.017 1.507 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 N--CA 1.428 -2.357 0 CA-C-O 128.67 3.529 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . 0.404 HG13 HG22 ' E' ' 1' ' ' VAL . 43.9 t . . . . . 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . 0.412 ' HG2' ' HG3' ' G' ' 17' ' ' LYS . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . 0.41 HG11 HG21 ' G' ' 18' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' G' ' 4' ' ' LYS . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.41 HG21 HG11 ' G' ' 16' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.497 -1.346 0 N-CA-C 109.111 -1.15 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' E' ' 1' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.456 -0.733 0 N-CA-C 110.357 -0.671 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.44 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.44 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t . . . . . 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.537 0.626 0 N-CA-C 115.874 1.452 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . 0.456 HG22 HG23 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo . . . . . 1 CA--C 1.612 4.381 0 N-CA-C 113.147 0.403 . . . . 0.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' B' ' 7' ' ' VAL . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo . . . . . 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . 0.456 HG23 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.462 -3.103 0 N-CA-C 109.449 -1.02 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . 0.409 HG12 HG22 ' G' ' 18' ' ' VAL . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.516 -0.409 0 CA-C-O 117.273 -1.22 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t . . . . . 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 CA--C 1.576 2.601 0 N-CA-C 107.98 -1.585 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.409 HG22 HG12 ' F' ' 3' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.434 -2.028 0 CA-C-O 121.65 0.604 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 CA--C 1.549 1.238 0 CA-C-O 126.691 2.704 . . . . 0.0 117.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.494 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.436 -1.865 0 CA-C-O 122.978 1.157 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t . . . . . 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.19 -1.92 0 CA-C-O 116.462 -1.558 . . . . 0.0 114.699 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . 0.408 HG23 HG13 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.254 45.8 t . . . . . 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 2 1 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . 0.442 HG13 HG22 ' F' ' 16' ' ' VAL . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 CA--C 1.48 -2.201 0 CA-C-O 125.309 2.129 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 CA--C 1.545 1.072 0 CA-C-O 115.068 -2.138 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . 0.442 HG22 HG13 ' E' ' 5' ' ' VAL . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . 0.494 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t . . . . . 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.418 -2.92 0 N-CA-C 107.769 -1.666 . . . . 0.0 107.769 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . 0.408 HG13 HG23 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.503 HG12 ' HB ' ' B' ' 14' ' ' VAL . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo . . . . . 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' B' ' 7' ' ' VAL . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t . . . . . 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.435 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.447 HG23 HG21 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.412 -3.32 0 CA-C-O 122.806 1.086 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo . . . . . 0 C--O 1.26 1.616 0 N-CA-C 115.709 1.388 . . . . 0.0 115.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.447 HG21 HG23 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--O 1.211 -0.831 0 CA-C-O 117.842 -0.982 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . 0.424 HG22 HG21 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 CA--C 1.562 1.886 0 CA-C-O 118.469 -0.721 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.426 HG11 HG22 ' H' ' 18' ' ' VAL . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . 0.456 HG23 HG11 ' H' ' 16' ' ' VAL . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 C--O 1.288 2.985 0 CA-C-O 117.349 -1.188 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . 0.424 HG21 HG22 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.534 HG22 HG12 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 N--CA 1.448 -1.163 0 N-CA-C 105.707 -2.459 . . . . 0.0 105.707 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . 0.456 HG11 HG23 ' G' ' 5' ' ' VAL . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.426 HG22 HG11 ' G' ' 3' ' ' VAL . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo . . . . . 0 C--O 1.264 1.793 0 CA-C-O 116.276 -1.635 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.419 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 2 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.412 HG12 HG22 ' C' ' 16' ' ' VAL . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 N--CA 1.407 -3.587 0 N-CA-C 116.431 1.666 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.511 -0.659 0 N-CA-C 107.731 -1.68 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . 0.412 HG22 HG12 ' B' ' 5' ' ' VAL . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.43 HG23 HG12 ' G' ' 9' ' ' VAL 0.291 29.3 t . . . . . 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.529 3.589 0 N-CA-C 117.98 2.262 . . . . 0.0 117.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . 0.602 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 N--CA 1.402 -3.864 0 N-CA-C 108.966 -1.205 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.275 38.2 t . . . . . 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 CA--C 1.485 -1.939 0 CA-C-O 121.911 0.713 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . 0.602 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . 0.43 HG12 HG23 ' C' ' 20' ' ' VAL . 10.5 t . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 CA-C-O 117.006 -1.331 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.486 HG12 HG13 ' G' ' 20' ' ' VAL . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . 0.486 HG13 HG12 ' G' ' 18' ' ' VAL . 4.9 m . . . . . 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.461 -3.172 0 CA-C-O 118.766 -0.597 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . 0.424 HG22 HG11 ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p . . . . . 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.537 0.645 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 HG22 ' E' ' 12' ' ' THR 0.316 32.0 t . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.438 -1.794 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.424 HG11 HG22 ' A' ' 1' ' ' VAL 0.281 22.5 t . . . . . 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 N--CA 1.419 -2.873 0 CA-C-O 120.71 0.213 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo . . . . . 0 CA--C 1.486 -1.881 0 N-CA-C 114.533 0.936 . . . . 0.0 114.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' D' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . 0.457 HG21 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo . . . . . 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' THR . . . . . 0.433 HG22 HG12 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t . . . . . 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo . . . . . 0 N--CA 1.451 -1.028 0 CA-C-O 116.195 -1.669 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . 0.457 HG13 HG21 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' G' ' 18' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.448 -1.174 0 N-CA-C 116.519 1.699 . . . . 0.0 116.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' G' ' 3' ' ' VAL . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.423 -2.619 0 CA-C-O 114.733 -2.278 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 HG23 HG21 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.406 -3.637 0 CA-C-O 123.171 1.238 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG11 HG12 ' E' ' 7' ' ' VAL . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.418 HG21 HG12 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 N--CA 1.422 -2.69 0 N-CA-C 116.418 1.661 . . . . 0.0 116.418 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.463 HG21 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' D' ' 12' ' ' THR . 20.7 m . . . . . 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 1 N--CA 1.383 -5.019 0 CA-C-O 120.608 0.17 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.418 HG12 HG21 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' THR . . . . . 0.404 ' HA ' HG13 ' C' ' 9' ' ' VAL . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . 0.4 HG22 HG12 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . 0.407 HG12 HG11 ' A' ' 18' ' ' VAL . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.444 -1.392 0 CA-C-O 121.919 0.716 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.582 2.894 0 CA-C-O 121.516 0.548 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . 0.4 HG12 HG22 ' E' ' 1' ' ' VAL . 26.2 t . . . . . 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.451 HG23 HG11 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 CA--C 1.596 3.624 0 N-CA-C 107.314 -1.841 . . . . 0.0 107.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . 0.432 HG12 HG21 ' G' ' 18' ' ' VAL . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.432 HG21 HG12 ' G' ' 16' ' ' VAL . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 C--O 1.189 -1.938 0 N-CA-C 103.559 -3.285 . . . . 0.0 103.559 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.451 HG11 HG23 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.496 -1.42 0 CA-C-O 118.147 -0.855 . . . . 0.0 113.521 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.437 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.443 HG13 HG21 ' D' ' 12' ' ' THR . 5.0 m . . . . . 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 CA--C 1.499 -1.238 0 CA-C-O 123.113 1.214 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' THR . . . . . 0.443 HG21 HG13 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . 0.412 HG23 HG22 ' F' ' 12' ' ' THR . 56.7 t . . . . . 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 CA--C 1.556 1.582 0 N-CA-C 119.29 2.765 . . . . 0.0 119.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . 0.41 HG12 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.591 3.353 0 N-CA-C 118.091 2.304 . . . . 0.0 118.091 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 12' ' ' THR . . . . . 0.412 HG22 HG23 ' E' ' 9' ' ' VAL . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -3.063 0 N-CA-C 107.678 -1.701 . . . . 0.0 107.678 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . 0.41 HG22 HG12 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' H' ' 18' ' ' VAL . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 C--O 1.258 1.489 0 N-CA-C 107.679 -1.7 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' H' ' 3' ' ' VAL . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t . . . . . 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . 0.527 HG22 HG11 ' B' ' 20' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.435 HG23 HG23 ' E' ' 7' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 8' ' ' LYS . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE3' ' HE2' ' A' ' 6' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' HG21 ' A' ' 12' ' ' THR . 9.9 p . . . . . 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.502 2.012 0 CA-C-O 118.195 -0.835 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.418 HG11 HG22 ' B' ' 5' ' ' VAL . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.418 HG22 HG11 ' B' ' 3' ' ' VAL . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.498 HG11 HG22 ' F' ' 20' ' ' VAL 0.293 26.6 t . . . . . 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 N-CA-C 118.432 2.436 . . . . 0.0 118.432 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t . . . . . 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . 0.43 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.21 -1.881 . . . . 0.0 107.21 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 N--CA 1.405 -3.714 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t . . . . . 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 2 1 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . 0.435 HG23 HG23 ' A' ' 3' ' ' VAL . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t . . . . . 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 1 N--CA 1.554 5.067 0 N-CA-C 114.386 0.879 . . . . 0.0 114.386 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t . . . . . 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.583 2.932 0 CA-C-O 119.243 -0.399 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . 0.498 HG22 HG11 ' B' ' 9' ' ' VAL . 14.1 t . . . . . 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.494 -1.524 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.319 7.5 t . . . . . 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 114.484 -2.382 . . . . 0.0 106.586 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.441 -1.588 0 CA-C-O 124.612 1.838 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.43 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LYS . . . . . 0.43 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.496 1.631 0 CA-C-O 117.007 -1.33 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.417 HG22 HG13 ' F' ' 18' ' ' VAL . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' E' ' 14' ' ' VAL . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.493 -1.538 0 N-CA-C 110.524 -0.606 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' VAL . . . . . 0.401 ' HB ' HG13 ' E' ' 7' ' ' VAL . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 C--O 1.255 1.355 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.417 HG13 HG22 ' E' ' 3' ' ' VAL . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.287 2.969 0 CA-C-O 117.227 -1.239 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HG2' ' HG2' ' A' ' 17' ' ' LYS . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 16' ' ' VAL . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HE2' ' HE3' ' A' ' 8' ' ' LYS . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HE3' ' HE2' ' A' ' 6' ' ' LYS . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.6 131.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -103.36 58.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.236 0 C-N-CA 124.413 3.409 . . . . 0.0 105.94 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 5' ' ' VAL . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HG2' ' HG2' ' A' ' 4' ' ' LYS . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t -108.31 131.41 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.85 0 O-C-N 117.281 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.462 HG23 HG12 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.512 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 56.1 t -120.09 109.72 26.77 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -62.65 -29.92 78.27 Favored 'Trans proline' 0 C--N 1.377 2.057 0 CA-C-N 125.197 2.892 . . . . 0.0 119.572 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 ' CG2' ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -81.81 -51.29 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 118.476 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.402 HG21 HG11 ' G' ' 7' ' ' VAL . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.92 145.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' G' ' 20' ' ' VAL . 71.8 Cg_endo -101.96 62.67 0.03 OUTLIER 'Trans proline' 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 173.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . 0.512 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.83 -79.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 108.824 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t -119.75 102.29 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.59 -38.4 54.86 Favored 'Trans proline' 1 N--CA 1.386 -4.841 0 CA-C-N 127.964 3.88 . . . . 0.0 115.567 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.87 136.98 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 118.453 -2.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.35 104.67 15.79 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.63 7.21 0.75 Allowed 'Trans proline' 0 N--CA 1.524 3.311 0 CA-C-N 122.738 2.014 . . . . 0.0 115.258 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.99 111.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.189 0 O-C-N 125.938 2.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . 0.462 HG12 HG23 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . 0.452 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . 0.452 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.99 122.16 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.94 -10.16 18.11 Favored 'Trans proline' 0 CA--C 1.597 3.67 1 CA-C-N 130.69 4.854 . . . . 0.0 109.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -118.32 110.52 30.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 125.51 1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . 0.429 HG23 HG21 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.485 HG21 HG11 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . 0.402 HG11 HG21 ' C' ' 5' ' ' VAL 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.78 104.99 17.96 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.63 -27.17 6.39 Favored 'Trans proline' 0 C--O 1.263 1.769 0 O-C-N 115.794 -2.793 . . . . 0.0 112.828 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . 0.413 ' HB ' ' HD2' ' C' ' 11' ' ' PRO . 24.1 m -83.04 57.93 0.16 Allowed 'Isoleucine or valine' 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.48 114.36 46.46 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -84.6 10.05 3.88 Favored 'Trans proline' 0 CA--C 1.586 3.092 1 C-N-CA 126.753 4.968 . . . . 0.0 118.151 171.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.485 HG11 HG21 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . 0.429 HG21 HG23 ' G' ' 1' ' ' VAL . 71.5 t -94.2 -79.55 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.062 0 O-C-N 119.028 -2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.56 130.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -101.34 13.65 0.41 Allowed 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 124.527 3.485 . . . . 0.0 111.891 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t -100.95 77.42 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 1 CA-C-N 126.565 4.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 ' O ' ' C' ' 20' ' ' VAL . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -119.87 105.09 16.59 Favored 'Isoleucine or valine' 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.43 -15.02 34.51 Favored 'Trans proline' 0 CA--C 1.477 -2.366 1 C-N-CA 127.748 5.632 . . . . 0.0 111.852 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.451 HG21 HG23 ' F' ' 16' ' ' VAL . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.23 -67.08 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.783 1 O-C-N 114.131 -5.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.529 HG22 HG21 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.51 159.49 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -99.72 99.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.777 0 C-N-CA 123.427 2.751 . . . . 0.0 110.375 163.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.441 ' O ' HG22 ' B' ' 1' ' ' VAL . 9.7 t -70.87 -48.84 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 122.102 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -126.83 98.16 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.75 -2.94 11.01 Favored 'Trans proline' 0 CA--C 1.553 1.446 0 CA-C-N 126.281 3.279 . . . . 0.0 113.12 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.529 HG21 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 149.13 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 117.906 -2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' E' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.83 121.59 47.63 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -77.59 -4.62 14.78 Favored 'Trans proline' 0 C--O 1.281 2.662 0 CA-C-N 125.059 2.843 . . . . 0.0 118.639 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.77 95.89 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.259 0 CA-C-N 114.246 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.91 107.82 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.45 -15.03 15.92 Favored 'Trans proline' 0 N--CA 1.431 -2.181 0 C-N-CA 124.542 3.495 . . . . 0.0 109.879 -173.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . 0.451 HG23 HG21 ' B' ' 16' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -143.24 114.35 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.177 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.27 102.97 9.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.71 -9.0 23.36 Favored 'Trans proline' 0 N--CA 1.515 2.786 0 C-N-CA 124.175 3.25 . . . . 0.0 117.373 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m -112.61 60.68 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 118.245 -2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.16 140.44 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -109.7 73.43 0.01 OUTLIER 'Trans proline' 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 -176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -107.92 -58.4 3.8 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 1 O-C-N 116.104 -4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 HG22 ' HD2' ' A' ' 10' ' ' DPR . 9.1 p -158.08 143.92 8.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . 0.422 ' HD2' HG22 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -103.97 39.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.369 1.621 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.2 128.66 51.94 Favored 'Isoleucine or valine' 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 119.566 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -122.73 93.96 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -61.28 -30.34 87.8 Favored 'Trans proline' 0 N--CA 1.441 -1.597 0 C-N-CA 125.046 3.83 . . . . 0.0 118.408 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.99 -55.12 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 119.334 -2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m -149.73 144.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -123.38 70.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.491 -1.633 0 O-C-N 128.137 3.703 . . . . 0.0 106.529 164.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t -81.19 -72.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.19 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -113.64 101.44 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo -58.09 -1.42 0.61 Allowed 'Trans proline' 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 169.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.25 91.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.161 1 O-C-N 115.432 -4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.98 121.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -91.87 -1.53 4.32 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.48 129.11 55.71 Favored 'Isoleucine or valine' 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 118.615 -2.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.75 100.83 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -93.83 15.74 1.26 Allowed 'Trans proline' 0 CA--C 1.563 1.964 0 C-N-CA 123.948 3.099 . . . . 0.0 111.564 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.03 129.94 74.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.841 0 CA-C-N 113.585 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t -123.47 83.57 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.75 -15.56 30.03 Favored 'Trans proline' 0 C--N 1.392 2.859 0 CA-C-N 122.373 1.883 . . . . 0.0 111.864 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.408 HG12 HG22 ' F' ' 3' ' ' VAL . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m -108.9 33.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.19 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' H' ' 18' ' ' VAL . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.48 139.57 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -100.89 64.54 0.04 OUTLIER 'Trans proline' 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' H' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t -142.36 -73.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.409 0 CA-C-N 120.846 1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.3 134.87 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -115.19 30.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.484 -2.021 0 CA-C-N 127.947 3.874 . . . . 0.0 107.298 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.43 89.89 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 1 O-C-N 114.682 -5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.64 107.23 8.53 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -76.57 -6.51 17.05 Favored 'Trans proline' 0 CA--C 1.464 -2.98 0 CA-C-N 124.074 2.491 . . . . 0.0 113.687 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.84 -50.62 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 1 O-C-N 129.763 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 4.2 m -140.31 149.1 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -107.46 68.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.517 2.872 0 CA-C-N 123.996 2.463 . . . . 0.0 114.868 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t -70.15 -60.24 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.749 0 CA-C-N 119.107 0.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -131.51 96.82 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -59.2 -30.43 93.0 Favored 'Trans proline' 0 N--CA 1.428 -2.332 0 CA-C-N 126.366 3.309 . . . . 0.0 119.176 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.76 110.83 28.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.525 0 CA-C-N 112.917 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -131.5 123.74 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -103.56 -4.4 0.24 Allowed 'Trans proline' 0 C--N 1.39 2.735 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t -129.93 123.51 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.48 111.46 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo -98.06 11.2 0.94 Allowed 'Trans proline' 0 C--N 1.327 -0.588 1 CA-C-N 129.842 4.551 . . . . 0.0 112.831 169.033 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.39 114.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.166 0 O-C-N 120.941 -1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.59 95.98 2.64 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.87 -4.01 8.09 Favored 'Trans proline' 1 CA--C 1.442 -4.124 2 C-N-CA 125.785 4.323 . . . . 0.0 117.024 -179.12 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -91.21 16.17 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.961 0 O-C-N 123.889 0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . 0.401 ' HB ' ' CG2' ' H' ' 20' ' ' VAL . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -140.29 147.21 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -91.62 -19.16 0.83 Allowed 'Trans proline' 0 CA--C 1.502 -1.111 0 CA-C-N 119.019 0.685 . . . . 0.0 113.098 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . 0.401 ' CG2' ' HB ' ' H' ' 1' ' ' VAL 0.263 23.2 t -82.77 -70.13 0.47 Allowed 'Isoleucine or valine' 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.576 0 O-C-N 125.705 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.449 HG11 HG12 ' A' ' 14' ' ' VAL . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.89 132.77 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -104.49 55.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.561 0 CA-C-N 127.361 3.665 . . . . 0.0 113.759 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG12 HG11 ' A' ' 7' ' ' VAL . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -114.15 135.77 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.743 0 CA-C-N 120.426 1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.12 117.01 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.61 -26.08 12.1 Favored 'Trans proline' 0 CA--C 1.491 -1.637 1 CA-C-N 129.585 4.459 . . . . 0.0 116.688 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t -91.7 -37.17 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 113.939 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.58 145.3 13.69 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -109.56 54.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.288 -2.656 0 C-N-CA 124.404 3.403 . . . . 0.0 109.898 167.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.82 -74.65 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -123.99 98.32 5.32 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -44.47 -46.84 11.66 Favored 'Trans proline' 0 C--N 1.289 -2.575 1 C-N-CA 128.391 6.061 . . . . 0.0 119.302 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.402 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.71 126.22 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.79 1 O-C-N 115.788 -4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -117.9 117.03 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -83.76 -5.33 10.69 Favored 'Trans proline' 0 N--CA 1.427 -2.422 0 C-N-CA 124.278 3.319 . . . . 0.0 112.626 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -121.37 118.09 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.402 2.887 0 CA-C-N 113.948 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' F' ' 16' ' ' VAL . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t -153.75 128.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -92.83 12.74 1.91 Allowed 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.252 3.301 . . . . 0.0 113.256 172.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . 0.415 ' HB ' ' HB ' ' F' ' 5' ' ' VAL . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.57 120.1 40.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.214 0 O-C-N 121.082 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t -128.39 111.61 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -98.06 13.2 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.488 2.125 . . . . 0.0 107.54 -169.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -98.85 54.98 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.622 0 CA-C-N 113.025 -1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m -138.01 145.9 27.99 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -103.7 21.23 0.14 Allowed 'Trans proline' 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t -124.83 -80.79 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.9 1 O-C-N 116.052 -4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.09 139.71 17.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -104.23 22.78 0.12 Allowed 'Trans proline' 0 C--N 1.273 -3.439 0 C-N-CA 124.007 3.138 . . . . 0.0 110.583 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.97 118.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.906 0 CA-C-N 118.849 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -126.01 108.28 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -76.09 -14.78 18.72 Favored 'Trans proline' 0 C--N 1.293 -2.391 2 C-N-CA 125.684 4.256 . . . . 0.0 115.103 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 HG22 ' F' ' 14' ' ' VAL . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.48 -77.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.04 0 CA-C-N 123.813 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.446 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' C' ' 14' ' ' VAL . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -150.24 141.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -107.76 74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.263 -3.944 0 CA-C-N 125.438 2.978 . . . . 0.0 108.65 163.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' C' ' 7' ' ' VAL . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.4 t -79.09 -101.57 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.246 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.18 98.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -64.76 -31.5 58.14 Favored 'Trans proline' 0 C--O 1.264 1.798 0 CA-C-N 123.28 2.207 . . . . 0.0 116.863 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.73 133.91 64.98 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.368 0 O-C-N 118.613 -2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.72 113.07 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -112.75 24.02 0.04 OUTLIER 'Trans proline' 0 CA--C 1.576 2.59 0 CA-C-N 127.652 3.769 . . . . 0.0 105.979 -165.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -101.49 113.85 38.98 Favored 'Isoleucine or valine' 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 118.946 0.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' G' ' 17' ' ' LYS . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -129.35 116.06 37.94 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.59 4.02 6.85 Favored 'Trans proline' 0 C--O 1.211 -0.84 1 C-N-CA 126.637 4.892 . . . . 0.0 109.292 176.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . 0.475 HG22 HG23 ' B' ' 18' ' ' VAL . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -113.44 127.57 70.69 Favored 'Isoleucine or valine' 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -115.51 99.41 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.58 -4.67 5.56 Favored 'Trans proline' 0 N--CA 1.423 -2.651 0 O-C-N 126.194 2.681 . . . . 0.0 106.407 -174.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' F' ' 4' ' ' LYS . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m -85.41 -13.81 11.06 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.843 0 O-C-N 118.708 -2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.5 135.37 43.86 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -93.19 -5.58 2.93 Favored 'Trans proline' 0 N--CA 1.422 -2.688 0 CA-C-N 123.376 2.241 . . . . 0.0 113.079 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.96 -56.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.42 142.92 22.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -108.85 40.69 0.02 OUTLIER 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 123.379 2.72 . . . . 0.0 106.121 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' HB ' HG11 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.98 101.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.552 0 CA-C-N 118.81 0.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.497 HG11 HG23 ' B' ' 5' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.497 HG23 HG11 ' B' ' 3' ' ' VAL . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t -122.51 110.92 28.23 Favored 'Isoleucine or valine' 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -77.54 -20.32 12.34 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 CA-C-N 123.93 2.439 . . . . 0.0 116.575 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -92.0 -70.83 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.472 0 O-C-N 120.322 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.419 HG23 HG11 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -144.69 140.29 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -107.09 53.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.204 -1.182 1 CA-C-N 131.024 4.973 . . . . 0.0 106.766 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . 0.465 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.525 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.44 -93.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.958 0 O-C-N 118.836 -2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.69 102.88 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -60.86 -19.84 63.83 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 CA-C-N 127.763 3.808 . . . . 0.0 113.826 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -117.28 106.94 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.221 0 CA-C-N 111.735 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . 0.425 HG11 ' HB ' ' E' ' 14' ' ' VAL . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.86 116.74 52.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -87.5 -0.69 7.5 Favored 'Trans proline' 1 N--CA 1.394 -4.327 0 CA-C-N 122.563 1.951 . . . . 0.0 111.689 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . 0.425 ' HB ' HG11 ' E' ' 7' ' ' VAL . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -85.4 124.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 120.621 1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . 0.47 HG11 HG22 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.0 t -131.81 117.72 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -95.3 21.17 0.51 Allowed 'Trans proline' 0 CA--C 1.489 -1.766 0 O-C-N 116.277 -2.538 . . . . 0.0 108.573 -169.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' F' ' 13' ' ' LYS . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 80.2 t -129.78 115.02 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.669 0 O-C-N 118.562 -2.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . 0.419 HG11 HG23 ' C' ' 3' ' ' VAL . 5.0 t -121.42 114.27 42.53 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . 0.427 ' C ' ' H ' ' G' ' 12' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -104.22 35.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.282 -2.973 0 CA-C-N 126.62 3.4 . . . . 0.0 104.402 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' THR . . . . . 0.427 ' H ' ' C ' ' G' ' 10' ' ' DPR 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.47 HG22 HG11 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.18 0.28 2.95 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.461 0 O-C-N 119.157 -2.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.55 137.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -83.27 -7.0 11.03 Favored 'Trans proline' 0 CA--C 1.468 -2.785 0 CA-C-N 123.696 2.356 . . . . 0.0 114.025 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -105.34 -66.57 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.888 0 O-C-N 117.484 -3.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG12 HG23 ' A' ' 12' ' ' THR . 2.9 p -148.78 147.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -109.33 32.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.23 0 C-N-CA 124.07 3.18 . . . . 0.0 112.131 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.506 HG23 HG12 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.73 139.09 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.404 0 O-C-N 117.835 -3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.45 HG21 HG11 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -70.23 -31.28 18.71 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 125.5 3.0 . . . . 0.0 115.75 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.466 HG23 HG12 ' E' ' 5' ' ' VAL . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -91.77 -61.79 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.412 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . 0.287 1.7 m -140.53 143.63 28.78 Favored 'Isoleucine or valine' 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -105.25 61.48 0.02 OUTLIER 'Trans proline' 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.45 HG11 HG21 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t -72.02 -62.15 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.095 0 O-C-N 116.927 -3.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -135.7 102.16 3.24 Favored 'Isoleucine or valine' 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -80.71 -1.77 11.47 Favored 'Trans proline' 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.5 t -131.95 130.85 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 O-C-N 119.171 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . 0.466 HG12 HG23 ' B' ' 16' ' ' VAL . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.91 117.87 23.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -96.15 -1.44 2.01 Favored 'Trans proline' 0 C--N 1.372 1.788 0 CA-C-N 126.571 3.382 . . . . 0.0 104.6 -166.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.12 117.21 33.92 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.198 0 O-C-N 118.902 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . 0.415 ' HB2' ' HB2' ' G' ' 15' ' ' LYS . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.71 95.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -62.4 -11.71 24.11 Favored 'Trans proline' 0 CA--C 1.456 -3.408 1 O-C-N 111.953 -4.814 . . . . 0.0 118.264 177.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' THR . . . . . 0.476 HG23 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . 0.476 HG23 HG23 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -126.43 137.88 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 123.802 0.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . 0.456 HG12 HG21 ' G' ' 9' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . 0.456 HG21 HG12 ' G' ' 7' ' ' VAL . 94.4 t -120.15 110.42 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -70.39 -10.64 28.51 Favored 'Trans proline' 0 C--O 1.274 2.323 0 CA-C-N 124.392 2.604 . . . . 0.0 113.812 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . 0.415 ' HB2' ' HB2' ' F' ' 6' ' ' LYS . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m -75.58 -27.39 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.208 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.22 131.88 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -94.94 5.5 2.36 Favored 'Trans proline' 0 CA--C 1.452 -3.621 0 C-N-CA 124.575 3.516 . . . . 0.0 115.912 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.35 -48.07 14.38 Favored 'Isoleucine or valine' 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.791 0 O-C-N 119.191 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.93 147.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -93.27 48.17 0.36 Allowed 'Trans proline' 0 N--CA 1.4 -3.995 0 CA-C-N 123.42 2.257 . . . . 0.0 115.368 173.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t -104.7 115.22 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.581 0 CA-C-N 118.534 0.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.42 103.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -59.89 -40.28 64.21 Favored 'Trans proline' 0 N--CA 1.51 2.482 0 CA-C-N 126.98 3.529 . . . . 0.0 116.197 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.06 -62.81 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.617 0 O-C-N 117.244 -3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.66 130.23 31.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -108.98 78.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.289 -2.58 0 CA-C-N 125.439 2.978 . . . . 0.0 111.255 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.3 -70.27 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 112.205 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' D' ' 18' ' ' VAL . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.49 101.83 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.36 -23.79 9.81 Favored 'Trans proline' 0 C--N 1.292 -2.423 0 CA-C-N 124.928 2.796 . . . . 0.0 111.35 -170.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.418 ' HB ' HG21 ' D' ' 3' ' ' VAL . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.5 139.39 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 117.003 -3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -145.17 123.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -97.99 15.82 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 CA-C-N 120.491 1.211 . . . . 0.0 110.543 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t -79.18 126.04 38.8 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.58 0 CA-C-N 110.038 -3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . 0.404 HG13 HG23 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' F' ' 12' ' ' THR . 47.3 t -126.08 109.65 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -98.54 -6.55 0.71 Allowed 'Trans proline' 0 N--CA 1.401 -3.959 0 C-N-CA 124.936 3.757 . . . . 0.0 111.398 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' F' ' 9' ' ' VAL . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.87 124.64 59.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 CA-C-N 114.915 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -129.64 107.03 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -94.61 8.78 2.04 Favored 'Trans proline' 0 CA--C 1.577 2.65 1 CA-C-N 128.99 4.246 . . . . 0.0 102.938 -176.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . 0.404 HG23 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.64 -8.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.825 0 O-C-N 125.06 1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -148.7 143.45 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.02 0.55 4.93 Favored 'Trans proline' 0 C--N 1.362 1.281 1 C-N-CA 125.752 4.301 . . . . 0.0 115.019 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.26 -53.94 9.32 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.573 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 116.58 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.31 -16.08 31.38 Favored 'Trans proline' 0 N--CA 1.456 -0.72 3 O-C-N 111.267 -5.175 . . . . 0.0 110.627 -168.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.73 114.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 123.116 0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.54 HG21 HG21 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.418 HG21 HG23 ' C' ' 12' ' ' THR . 24.6 t -130.45 126.39 60.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.5 -34.58 33.13 Favored 'Trans proline' 1 C--N 1.257 -4.256 0 CA-C-N 125.661 3.058 . . . . 0.0 116.431 170.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.44 -41.9 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.922 -1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.577 HG23 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.402 HG23 ' CG1' ' G' ' 20' ' ' VAL . 21.7 m -137.12 126.83 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.99 -4.15 11.2 Favored 'Trans proline' 0 N--CA 1.507 2.29 0 C-N-CA 122.302 2.001 . . . . 0.0 115.635 174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.418 HG23 HG21 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.74 -68.69 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.803 0 O-C-N 119.741 -1.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.79 84.98 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -59.51 -11.03 12.63 Favored 'Trans proline' 0 C--N 1.368 1.574 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.577 HG13 HG23 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.26 115.87 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.286 1 CA-C-N 106.947 -4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . 0.432 ' HG3' ' HB3' ' E' ' 15' ' ' LYS . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t -130.01 115.94 35.21 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -92.09 -5.46 3.58 Favored 'Trans proline' 0 CA--C 1.464 -2.997 0 CA-C-N 123.378 2.242 . . . . 0.0 111.596 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . 0.432 ' HB3' ' HG3' ' E' ' 6' ' ' LYS . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.66 122.55 41.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.925 1 O-C-N 115.662 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.14 122.36 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -107.81 34.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 0 CA-C-N 121.93 1.725 . . . . 0.0 108.271 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.18 133.44 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.304 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . 0.449 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 110.83 18.17 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -88.33 17.91 1.59 Allowed 'Trans proline' 0 N--CA 1.403 -3.836 0 CA-C-N 127.555 3.734 . . . . 0.0 108.633 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . 0.402 ' CG1' HG23 ' C' ' 9' ' ' VAL . 15.8 m -91.72 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 124.453 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.69 142.19 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -95.53 6.3 2.06 Favored 'Trans proline' 0 N--CA 1.486 1.068 0 C-N-CA 124.774 3.65 . . . . 0.0 112.819 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t -89.54 -51.01 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 121.419 1.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.17 121.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -98.58 18.2 0.43 Allowed 'Trans proline' 0 CA--C 1.495 -1.447 0 O-C-N 115.358 -3.022 . . . . 0.0 106.26 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.83 119.36 60.76 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.767 -1.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 99.0 t -138.34 127.07 31.25 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -81.99 -4.79 12.07 Favored 'Trans proline' 0 C--N 1.273 -3.413 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 168.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -90.33 -58.22 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.461 0 O-C-N 120.632 -1.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.4 143.53 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -111.01 21.43 0.05 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 127.085 5.19 . . . . 0.0 105.606 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t -84.58 -55.83 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.101 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -129.58 109.08 17.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.76 -0.28 9.66 Favored 'Trans proline' 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . 0.443 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -108.54 101.53 12.68 Favored 'Isoleucine or valine' 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.05 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . 0.404 HG22 HG13 ' F' ' 20' ' ' VAL . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t -121.02 130.05 75.08 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -69.32 -11.68 31.98 Favored 'Trans proline' 0 N--CA 1.435 -1.917 0 CA-C-N 127.127 3.581 . . . . 0.0 116.017 170.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.29 101.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 117.412 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.69 94.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.93 -0.3 10.51 Favored 'Trans proline' 0 N--CA 1.428 -2.357 0 O-C-N 113.574 -3.961 . . . . 0.0 112.205 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . 0.404 HG13 HG22 ' E' ' 1' ' ' VAL . 43.9 t -104.14 88.51 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.693 0 CA-C-N 113.811 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . 0.412 ' HG2' ' HG3' ' G' ' 17' ' ' LYS . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -128.36 111.16 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -97.55 13.71 0.82 Allowed 'Trans proline' 0 CA--C 1.555 1.538 1 CA-C-N 130.628 4.831 . . . . 0.0 108.331 -171.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . 0.41 HG11 HG21 ' G' ' 18' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' G' ' 4' ' ' LYS . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.41 HG21 HG11 ' G' ' 16' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.64 -12.11 12.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.501 0 O-C-N 119.138 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.98 138.23 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -110.44 39.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.015 1 CA-C-N 129.355 4.377 . . . . 0.0 109.111 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.64 -48.6 19.49 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.541 0 CA-C-N 115.553 -0.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' DPR . 14.9 p -138.38 128.24 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.31 -16.97 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.646 3.564 . . . . 0.0 110.357 -165.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t -136.62 111.41 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.314 0 O-C-N 121.174 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.44 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.44 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t -117.2 115.16 47.92 Favored 'Isoleucine or valine' 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -84.15 -7.83 10.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 116.954 -1.564 . . . . 0.0 115.874 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -113.09 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.268 0 CA-C-N 118.449 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . 0.456 HG22 HG23 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.33 134.23 15.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -100.14 56.85 0.04 OUTLIER 'Trans proline' 1 CA--C 1.612 4.381 0 CA-C-N 122.502 1.929 . . . . 0.0 113.147 165.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' B' ' 7' ' ' VAL . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.47 -70.66 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.609 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.3 103.6 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -60.31 -12.54 20.51 Favored 'Trans proline' 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . 0.456 HG23 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.63 126.66 73.24 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.334 0 O-C-N 116.76 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.8 116.55 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -114.94 30.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.462 -3.103 0 O-C-N 124.473 1.775 . . . . 0.0 109.449 -170.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.02 138.9 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.392 2.451 1 O-C-N 112.829 -6.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . 0.409 HG12 HG22 ' G' ' 18' ' ' VAL . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.68 105.01 17.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.54 -17.01 26.97 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.712 1.608 . . . . 0.0 112.375 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t -82.7 133.39 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.997 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.14 117.68 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -89.8 3.67 5.12 Favored 'Trans proline' 0 CA--C 1.576 2.601 0 C-N-CA 124.641 3.561 . . . . 0.0 107.98 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.409 HG22 HG12 ' F' ' 3' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.56 -32.05 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.084 0 CA-C-N 120.561 1.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.23 148.18 22.74 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -111.05 35.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -110.57 -72.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.984 0 O-C-N 128.411 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.98 111.34 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.55 -16.37 4.73 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 CA-C-N 123.436 2.263 . . . . 0.0 112.224 -174.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -140.61 127.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 CA-C-N 121.872 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.34 96.32 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.05 -15.54 43.4 Favored 'Trans proline' 0 C--N 1.281 -2.993 0 C-N-CA 124.763 3.642 . . . . 0.0 117.291 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.46 -63.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.608 0 CA-C-N 119.61 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.494 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.62 146.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -113.84 70.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.865 0 O-C-N 125.441 2.285 . . . . 0.0 112.542 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t -83.03 -82.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.357 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.46 98.02 5.37 Favored 'Isoleucine or valine' 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -13.32 31.86 Favored 'Trans proline' 0 C--N 1.285 -2.803 0 CA-C-N 123.859 2.414 . . . . 0.0 114.699 -174.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . 0.408 HG23 HG13 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.254 45.8 t -115.7 100.71 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.211 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . 0.442 HG13 HG22 ' F' ' 16' ' ' VAL . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t -134.93 130.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -103.78 58.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.294 -2.336 1 O-C-N 129.104 4.213 . . . . 0.0 109.694 172.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.87 109.78 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.794 1 O-C-N 113.95 -5.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.27 109.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . 0.413 ' HG3' ' HB2' ' G' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -83.47 1.65 8.83 Favored 'Trans proline' 0 C--N 1.292 -2.425 0 CA-C-N 127.205 3.609 . . . . 0.0 111.927 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . 0.442 HG22 HG13 ' E' ' 5' ' ' VAL . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.85 140.55 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 125.2 1.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . 0.494 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t -144.51 109.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . 0.413 ' HB2' ' HG3' ' F' ' 10' ' ' DPR . 59.9 Cg_endo -68.92 -6.9 19.27 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.07 19.53 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -142.78 158.03 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -106.0 40.08 0.04 OUTLIER 'Trans proline' 0 N--CA 1.418 -2.92 0 CA-C-N 126.571 3.382 . . . . 0.0 107.769 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . 0.408 HG13 HG23 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.22 -64.97 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.244 0 O-C-N 124.66 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -149.05 110.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -104.6 -4.96 0.18 Allowed 'Trans proline' 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 -168.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t -134.11 116.92 23.95 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.547 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.503 HG12 ' HB ' ' B' ' 14' ' ' VAL . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -130.15 109.1 16.93 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -59.64 -33.95 96.58 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 171.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' B' ' 7' ' ' VAL . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t -99.01 -67.82 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.226 0 CA-C-N 122.074 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.435 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.447 HG23 HG21 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.19 151.45 35.89 Favored 'Isoleucine or valine' 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -99.51 69.23 0.06 OUTLIER 'Trans proline' 0 N--CA 1.412 -3.32 0 CA-C-N 127.231 3.618 . . . . 0.0 110.811 165.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.2 t -81.49 -66.06 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.145 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.34 117.08 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -73.97 -14.33 23.79 Favored 'Trans proline' 0 C--O 1.26 1.616 0 C-N-CA 124.232 3.288 . . . . 0.0 115.709 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.447 HG21 HG23 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t -115.99 92.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.588 0 O-C-N 117.704 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t -131.86 116.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.31 23.82 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 124.438 3.425 . . . . 0.0 111.246 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -78.92 108.63 12.71 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 O-C-N 121.552 -0.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . 0.424 HG22 HG21 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.45 123.38 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -81.04 -18.84 8.6 Favored 'Trans proline' 0 CA--C 1.562 1.886 3 C-N-CA 126.131 4.554 . . . . 0.0 112.782 172.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -96.05 120.19 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.018 0 O-C-N 126.173 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.426 HG11 HG22 ' H' ' 18' ' ' VAL . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . 0.456 HG23 HG11 ' H' ' 16' ' ' VAL . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.42 99.63 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -86.65 3.88 6.56 Favored 'Trans proline' 0 C--O 1.288 2.985 0 CA-C-N 125.803 3.108 . . . . 0.0 112.507 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . 0.424 HG21 HG22 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.534 HG22 HG12 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.94 -15.26 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.293 0 CA-C-N 123.892 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -151.01 132.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -113.04 38.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 CA-C-N 126.559 3.378 . . . . 0.0 105.707 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . 0.456 HG11 HG23 ' G' ' 5' ' ' VAL . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.426 HG22 HG11 ' G' ' 3' ' ' VAL . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.78 -52.03 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.108 0 O-C-N 120.36 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p -131.29 124.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -93.38 7.63 2.67 Favored 'Trans proline' 0 C--O 1.264 1.793 0 CA-C-N 127.715 3.791 . . . . 0.0 109.731 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.33 131.72 57.94 Favored 'Isoleucine or valine' 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.29 0 O-C-N 121.52 -0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.412 HG12 HG22 ' C' ' 16' ' ' VAL . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.37 112.67 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -74.86 -15.23 21.22 Favored 'Trans proline' 0 N--CA 1.407 -3.587 1 C-N-CA 127.71 5.606 . . . . 0.0 116.431 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.38 -66.31 1.38 Allowed 'Isoleucine or valine' 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.548 0 CA-C-N 125.096 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.57 157.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -105.69 84.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 114.575 -3.15 . . . . 0.0 107.731 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . 0.412 HG22 HG12 ' B' ' 5' ' ' VAL . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.43 HG23 HG12 ' G' ' 9' ' ' VAL 0.291 29.3 t -86.65 -79.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 121.464 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.22 102.03 11.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.61 -23.05 54.98 Favored 'Trans proline' 0 N--CA 1.529 3.589 0 CA-C-N 124.509 2.646 . . . . 0.0 117.98 171.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.1 109.11 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 2 O-C-N 115.611 -4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . 0.602 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . 0.471 ' O ' ' C ' ' E' ' 10' ' ' DPR . 0.7 OUTLIER -131.31 117.82 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . 0.471 ' C ' ' O ' ' E' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -106.54 53.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.402 -3.864 0 CA-C-N 127.582 3.744 . . . . 0.0 108.966 -173.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.275 38.2 t -77.75 109.63 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.156 0 O-C-N 118.662 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.66 106.21 20.32 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -80.74 -12.84 12.1 Favored 'Trans proline' 0 CA--C 1.485 -1.939 0 CA-C-N 124.038 2.478 . . . . 0.0 113.573 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . 0.602 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.82 120.39 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.345 0 CA-C-N 123.846 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . 0.43 HG12 HG23 ' C' ' 20' ' ' VAL . 10.5 t -129.37 108.87 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -85.19 14.53 2.45 Favored 'Trans proline' 0 C--N 1.39 2.716 0 CA-C-N 122.896 2.07 . . . . 0.0 109.133 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.486 HG12 HG13 ' G' ' 20' ' ' VAL . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . 0.486 HG13 HG12 ' G' ' 18' ' ' VAL . 4.9 m -84.17 -22.85 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.655 0 O-C-N 123.834 0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.9 138.88 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -105.45 21.04 0.11 Allowed 'Trans proline' 0 CA--C 1.461 -3.172 0 CA-C-N 122.929 2.082 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.65 -63.71 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 119.73 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.424 HG22 HG11 ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 HG13 ' HB ' ' A' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p -143.88 132.88 19.52 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -98.34 5.12 1.22 Allowed 'Trans proline' 0 C--N 1.382 2.313 0 O-C-N 123.842 1.443 . . . . 0.0 109.815 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 HG22 ' E' ' 12' ' ' THR 0.316 32.0 t -142.65 117.75 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.11 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.17 110.07 4.68 Favored 'Isoleucine or valine' 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -85.81 -23.47 2.09 Favored 'Trans proline' 0 N--CA 1.438 -1.794 0 C-N-CA 124.575 3.516 . . . . 0.0 114.542 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.424 HG11 HG22 ' A' ' 1' ' ' VAL 0.281 22.5 t -118.07 -47.27 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.305 0 CA-C-N 123.549 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -156.82 158.95 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.86 68.91 0.4 Allowed 'Trans proline' 0 N--CA 1.419 -2.873 0 C-N-CA 123.687 2.925 . . . . 0.0 111.643 146.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -80.4 -62.31 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 121.536 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -135.51 104.95 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -65.72 -24.34 54.98 Favored 'Trans proline' 0 C--N 1.378 2.123 0 CA-C-N 121.873 1.704 . . . . 0.0 114.533 175.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . 0.498 ' HB ' HG13 ' D' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.72 120.83 60.89 Favored 'Isoleucine or valine' 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 117.379 -3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . 0.457 HG21 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.35 118.96 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -57.07 -20.27 36.73 Favored 'Trans proline' 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' THR . . . . . 0.433 HG22 HG12 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t -100.58 132.12 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.846 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -109.47 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -69.67 -12.03 32.2 Favored 'Trans proline' 0 C--N 1.367 1.527 1 C-N-CA 127.486 5.457 . . . . 0.0 112.888 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . 0.457 HG13 HG21 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -87.89 141.95 13.61 Favored 'Isoleucine or valine' 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.871 0 O-C-N 121.139 -0.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' G' ' 18' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t -132.7 110.49 15.86 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -70.92 -7.35 21.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 1 C-N-CA 126.206 4.604 . . . . 0.0 116.519 174.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' G' ' 3' ' ' VAL . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.72 -1.34 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.603 0 CA-C-N 125.643 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.12 21.76 Favored 'Isoleucine or valine' 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -96.02 12.37 1.25 Allowed 'Trans proline' 0 N--CA 1.423 -2.619 0 C-N-CA 124.779 3.653 . . . . 0.0 109.184 177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t -94.85 -54.8 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.162 0 O-C-N 116.359 -3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.463 HG23 HG21 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.4 141.65 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -98.79 51.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.406 -3.637 0 C-N-CA 123.558 2.838 . . . . 0.0 113.558 172.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG11 HG12 ' E' ' 7' ' ' VAL . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -117.2 94.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.141 0 O-C-N 118.238 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.418 HG21 HG12 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.93 113.55 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.78 -28.49 82.33 Favored 'Trans proline' 0 N--CA 1.422 -2.69 1 CA-C-N 129.965 4.595 . . . . 0.0 116.418 174.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.463 HG21 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.83 -57.93 4.18 Favored 'Isoleucine or valine' 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 124.554 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' D' ' 12' ' ' THR . 20.7 m -149.73 143.53 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -119.35 42.05 0.0 OUTLIER 'Trans proline' 1 N--CA 1.383 -5.019 0 O-C-N 125.191 2.153 . . . . 0.0 111.97 170.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.418 HG12 HG21 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.53 -81.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.67 0 O-C-N 126.094 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.85 101.05 11.89 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -70.75 -11.57 29.73 Favored 'Trans proline' 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 176.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' THR . . . . . 0.404 ' HA ' HG13 ' C' ' 9' ' ' VAL . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.9 132.83 70.62 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . 0.4 HG22 HG12 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . 0.407 HG12 HG11 ' A' ' 18' ' ' VAL . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.58 118.39 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.87 -33.4 33.57 Favored 'Trans proline' 0 N--CA 1.444 -1.392 1 CA-C-N 128.78 4.171 . . . . 0.0 113.751 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.27 111.79 19.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.458 5.296 1 O-C-N 111.954 -6.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.89 119.17 48.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -85.29 -1.47 9.21 Favored 'Trans proline' 0 CA--C 1.582 2.894 0 CA-C-N 123.888 2.424 . . . . 0.0 112.288 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . 0.4 HG12 HG22 ' E' ' 1' ' ' VAL . 26.2 t -114.67 127.34 72.22 Favored 'Isoleucine or valine' 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.513 0 CA-C-N 114.928 -1.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.451 HG23 HG11 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.25 102.94 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -105.87 46.43 0.02 OUTLIER 'Trans proline' 0 CA--C 1.596 3.624 0 CA-C-N 122.414 1.898 . . . . 0.0 107.314 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . 0.432 HG12 HG21 ' G' ' 18' ' ' VAL . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.432 HG21 HG12 ' G' ' 16' ' ' VAL . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m -81.16 -32.24 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.395 2.56 0 CA-C-N 120.459 1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -141.03 156.84 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -111.69 23.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.288 -2.647 0 CA-C-N 126.394 3.319 . . . . 0.0 103.559 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.451 HG11 HG23 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.11 -65.27 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.02 0 CA-C-N 111.042 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' DPR . 5.2 p -116.44 132.62 65.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -99.07 17.29 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.01 2.473 . . . . 0.0 113.521 -178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 128.89 57.24 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.84 0 CA-C-N 113.728 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t -148.32 118.94 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -67.91 -28.56 35.71 Favored 'Trans proline' 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 171.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.437 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -87.46 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.889 0 O-C-N 121.711 -0.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.443 HG13 HG21 ' D' ' 12' ' ' THR . 5.0 m -150.72 146.36 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -97.97 47.13 0.09 OUTLIER 'Trans proline' 0 CA--C 1.499 -1.238 0 CA-C-N 123.703 2.358 . . . . 0.0 110.615 160.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t -70.02 -48.8 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 118.239 -2.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.18 102.05 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -58.96 -34.79 99.27 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' THR . . . . . 0.443 HG21 HG13 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.98 126.9 72.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.258 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . 0.412 HG23 HG22 ' F' ' 12' ' ' THR . 56.7 t -140.66 120.97 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -79.33 -17.8 11.36 Favored 'Trans proline' 0 CA--C 1.556 1.582 0 C-N-CA 124.919 3.746 . . . . 0.0 119.29 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.81 108.12 3.17 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.215 0 O-C-N 117.724 -3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . 0.41 HG12 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -134.81 118.0 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -79.25 0.54 9.93 Favored 'Trans proline' 0 CA--C 1.591 3.353 0 CA-C-N 127.022 3.544 . . . . 0.0 118.091 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 12' ' ' THR . . . . . 0.412 HG22 HG23 ' E' ' 9' ' ' VAL . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.04 100.56 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.287 0 CA-C-N 112.225 -2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -138.02 116.19 13.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -102.7 46.1 0.04 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.063 1 C-N-CA 126.106 4.537 . . . . 0.0 107.678 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . 0.41 HG22 HG12 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m -74.49 -32.23 29.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 114.212 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' H' ' 18' ' ' VAL . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.1 150.15 21.49 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -103.22 54.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.381 2.281 0 CA-C-N 125.702 3.072 . . . . 0.0 107.679 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' H' ' 3' ' ' VAL . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t -82.53 -73.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.527 HG22 HG11 ' B' ' 20' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.435 HG23 HG23 ' E' ' 7' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 8' ' ' LYS . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE3' ' HE2' ' A' ' 6' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' HG21 ' A' ' 12' ' ' THR . 9.9 p -142.05 144.53 25.16 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -107.11 41.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 124.679 3.586 . . . . 0.0 110.128 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -125.05 111.79 29.19 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 117.792 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.418 HG11 HG22 ' B' ' 5' ' ' VAL . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.418 HG22 HG11 ' B' ' 3' ' ' VAL . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.498 HG11 HG22 ' F' ' 20' ' ' VAL 0.293 26.6 t -136.68 123.17 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -52.84 -18.48 9.23 Favored 'Trans proline' 0 C--N 1.282 -2.929 1 C-N-CA 125.811 4.341 . . . . 0.0 118.432 167.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t -85.49 -65.83 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 127.928 3.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.43 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.9 154.96 21.62 Favored 'Isoleucine or valine' 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo -108.58 62.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.371 1.762 1 C-N-CA 125.74 4.293 . . . . 0.0 107.21 169.254 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -99.07 -76.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.04 0 CA-C-N 119.36 0.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.33 105.98 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.88 -10.51 23.0 Favored 'Trans proline' 0 N--CA 1.405 -3.714 1 C-N-CA 127.645 5.563 . . . . 0.0 117.419 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t -127.8 139.95 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 117.363 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . 0.435 HG23 HG23 ' A' ' 3' ' ' VAL . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -140.39 129.33 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -92.14 20.71 0.8 Allowed 'Trans proline' 1 N--CA 1.554 5.067 1 C-N-CA 126.297 4.664 . . . . 0.0 114.386 177.186 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t -53.36 122.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.87 115.5 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -79.77 5.07 6.17 Favored 'Trans proline' 0 CA--C 1.583 2.932 0 C-N-CA 121.791 1.661 . . . . 0.0 112.849 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . 0.498 HG22 HG11 ' B' ' 9' ' ' VAL . 14.1 t -124.02 105.81 16.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.266 0 O-C-N 120.808 -1.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' G' ' 10' ' ' DPR . 74.7 t -125.76 127.88 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . 0.413 ' C ' ' O ' ' G' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -105.16 35.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -100.51 6.96 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.27 135.96 60.67 Favored 'Isoleucine or valine' 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -95.61 7.75 1.87 Allowed 'Trans proline' 0 CA--C 1.494 -1.524 0 O-C-N 126.009 2.584 . . . . 0.0 115.69 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.319 7.5 t -101.07 -55.84 5.65 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.775 0 CA-C-N 113.254 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.69 131.08 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -110.4 35.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.275 -3.292 0 C-N-CA 124.682 3.588 . . . . 0.0 106.586 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.55 105.5 18.47 Favored 'Isoleucine or valine' 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.575 0 O-C-N 117.096 -3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t -119.78 107.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -76.46 -20.34 14.16 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 O-C-N 115.478 -2.959 . . . . 0.0 113.668 -169.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.77 -65.25 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.137 0 CA-C-N 115.147 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.43 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -157.67 146.41 9.94 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -107.24 84.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 165.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LYS . . . . . 0.43 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -94.14 -63.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.072 1 O-C-N 116.265 -4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.36 99.38 3.9 Favored 'Isoleucine or valine' 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' DPR . . . . . 0.401 ' HA ' ' HD3' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' ' 10' ' ' DPR . 32.5 Cg_exo -69.75 -22.57 31.93 Favored 'Trans proline' 0 C--N 1.394 2.951 1 C-N-CA 127.924 5.75 . . . . 0.0 112.924 -173.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t -131.46 140.23 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.065 0 O-C-N 120.426 -1.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.417 HG22 HG13 ' F' ' 18' ' ' VAL . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' E' ' 14' ' ' VAL . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.95 110.44 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -90.63 -6.61 4.24 Favored 'Trans proline' 0 C--N 1.401 3.325 0 O-C-N 124.142 1.601 . . . . 0.0 110.524 -169.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' VAL . . . . . 0.401 ' HB ' HG13 ' E' ' 7' ' ' VAL . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.47 121.74 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.391 2.38 0 CA-C-N 114.443 -1.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.34 122.55 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -105.07 20.71 0.12 Allowed 'Trans proline' 0 C--O 1.255 1.355 0 CA-C-N 128.004 3.894 . . . . 0.0 111.028 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.417 HG13 HG22 ' E' ' 3' ' ' VAL . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.43 103.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 118.495 -2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.84 99.44 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -90.23 14.65 2.03 Favored 'Trans proline' 0 C--N 1.297 -2.163 1 C-N-CA 126.525 4.817 . . . . 0.0 109.707 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.16 67.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.421 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -143.03 138.7 27.24 Favored 'Isoleucine or valine' 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -100.46 35.62 0.08 OUTLIER 'Trans proline' 0 C--O 1.287 2.969 0 CA-C-N 121.092 1.426 . . . . 0.0 109.961 -173.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 t -112.34 -81.95 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.785 0 O-C-N 117.093 -3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 N--CA 1.43 -2.236 0 N-CA-C 105.94 -2.369 . . . . 0.0 105.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t . . . . . 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.421 HG22 HG13 ' C' ' 18' ' ' VAL . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.505 HG21 HG11 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.406 HG13 ' O ' ' C' ' 11' ' ' PRO . 56.1 t . . . . . 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.798 0 N-CA-C 119.572 2.874 . . . . 0.0 119.572 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.505 HG22 HG23 ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 18' ' ' VAL . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 11' ' ' PRO . . . . . 0.406 ' O ' HG13 ' B' ' 9' ' ' VAL . 71.8 Cg_endo . . . . . 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' VAL . . . . . 0.441 HG12 HG23 ' C' ' 18' ' ' VAL . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.441 HG23 HG12 ' C' ' 16' ' ' VAL . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 1 N--CA 1.386 -4.841 0 CA-C-O 113.78 -2.675 . . . . 0.0 115.567 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 3' ' ' VAL . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 115.258 1.215 . . . . 0.0 115.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.505 HG11 HG21 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 4' ' ' LYS . . . . . 0.41 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 5' ' ' VAL . . . . . 0.484 HG13 HG22 ' G' ' 16' ' ' VAL . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 6' ' ' LYS . . . . . 0.41 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.597 3.67 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.405 HG21 HG11 ' B' ' 7' ' ' VAL . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 1' ' ' VAL . . . . . 0.611 HG22 HG22 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.426 HG22 HG13 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo . . . . . 0 C--O 1.263 1.769 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.484 HG22 HG13 ' F' ' 5' ' ' VAL . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' VAL . . . . . 0.437 HG22 ' H ' ' G' ' 20' ' ' VAL . 24.1 m . . . . . 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 3' ' ' VAL . . . . . 0.401 ' H ' ' HB ' ' H' ' 18' ' ' VAL 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 CA--C 1.586 3.092 0 N-CA-C 118.151 2.327 . . . . 0.0 118.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.426 HG13 HG22 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.611 HG22 HG22 ' G' ' 1' ' ' VAL . 71.5 t . . . . . 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HB ' HG13 ' B' ' 14' ' ' VAL . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.141 0 CA-C-O 117.935 -0.944 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.409 HG13 ' O ' ' C' ' 19' ' ' LYS . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.511 HG13 HG22 ' C' ' 18' ' ' VAL . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.477 -2.366 0 CA-C-O 116.083 -1.715 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 7' ' ' VAL . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.456 HG22 HG13 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.551 HG23 HG22 ' D' ' 14' ' ' VAL . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 N--CA 1.438 -1.777 0 CA-C-O 113.63 -2.737 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.511 HG22 HG13 ' B' ' 3' ' ' VAL . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.409 ' O ' HG13 ' B' ' 1' ' ' VAL . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.553 1.446 0 CA-C-O 115.556 -1.935 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.551 HG22 HG23 ' C' ' 7' ' ' VAL . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.456 HG13 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 1' ' ' VAL . . . . . 0.418 HG13 HG22 ' F' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.586 HG22 HG13 ' F' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' F' ' 12' ' ' THR . 46.8 t . . . . . 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 C--O 1.281 2.662 0 N-CA-C 118.639 2.515 . . . . 0.0 118.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' VAL . . . . . 0.508 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo . . . . . 0 N--CA 1.431 -2.181 0 CA-C-O 117.616 -1.077 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 12' ' ' THR . . . . . 0.504 ' HA ' HG22 ' E' ' 9' ' ' VAL . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' F' F ' 16' ' ' VAL . . . . . 0.586 HG13 HG22 ' E' ' 5' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.418 HG22 HG13 ' E' ' 1' ' ' VAL . 58.1 t . . . . . 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.662 HG22 HG22 ' H' ' 18' ' ' VAL . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 N--CA 1.515 2.786 0 CA-C-O 126.37 2.571 . . . . 0.0 117.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.411 HG12 HG13 ' G' ' 20' ' ' VAL . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' VAL . . . . . 0.411 HG13 HG12 ' G' ' 18' ' ' VAL . 4.2 m . . . . . 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.662 HG22 HG22 ' G' ' 3' ' ' VAL . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t . . . . . 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG11 HG11 ' E' ' 18' ' ' VAL . 9.1 p . . . . . 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.505 -0.973 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 5' ' ' VAL . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.421 HG23 HG12 ' B' ' 3' ' ' VAL . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo . . . . . 0 N--CA 1.441 -1.597 0 N-CA-C 118.408 2.426 . . . . 0.0 118.408 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG21 HG22 ' F' ' 16' ' ' VAL . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.416 HG22 HG13 ' D' ' 18' ' ' VAL . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.469 HG13 HG22 ' D' ' 16' ' ' VAL . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.421 HG23 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.491 -1.633 0 N-CA-C 106.529 -2.143 . . . . 0.0 106.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' C' ' 13' ' ' LYS . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LYS . . . . . 0.412 ' N ' HG22 ' C' ' 12' ' ' THR 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t . . . . . 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo . . . . . 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.421 HG22 HG23 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 5' ' ' VAL . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' C' ' 3' ' ' VAL . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' VAL . . . . . 0.452 HG23 HG22 ' F' ' 14' ' ' VAL 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 CA--C 1.509 -0.764 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 9' ' ' VAL . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo . . . . . 0 CA--C 1.563 1.964 0 CA-C-O 117.396 -1.168 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 14' ' ' VAL . . . . . 0.452 HG22 HG23 ' E' ' 7' ' ' VAL . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' VAL . . . . . 0.411 HG22 HG21 ' B' ' 16' ' ' VAL . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.452 HG13 HG22 ' H' ' 18' ' ' VAL . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t . . . . . 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--O 1.245 0.831 0 CA-C-O 117.245 -1.231 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.452 HG22 HG13 ' G' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 CA--C 1.484 -2.021 0 N-CA-C 107.298 -1.847 . . . . 0.0 107.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' F' ' 3' ' ' VAL . 61.8 t . . . . . 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo . . . . . 0 CA--C 1.464 -2.98 0 CA-C-O 115.296 -2.043 . . . . 0.0 113.687 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.459 HG22 HG13 ' D' ' 18' ' ' VAL . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.441 HG11 HG11 ' G' ' 3' ' ' VAL . 4.2 m . . . . . 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.517 2.872 0 N-CA-C 114.868 1.065 . . . . 0.0 114.868 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 N--CA 1.428 -2.332 0 N-CA-C 119.176 2.721 . . . . 0.0 119.176 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.403 HG23 HG12 ' C' ' 9' ' ' VAL . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 3' ' ' VAL 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 CA--C 1.486 -1.899 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' B' ' 9' ' ' VAL . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 7' ' ' VAL . . . . . 0.497 HG23 HG22 ' G' ' 14' ' ' VAL . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 112.831 0.281 . . . . 0.0 112.831 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 1' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.441 HG11 HG11 ' C' ' 9' ' ' VAL . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 1 CA--C 1.442 -4.124 0 N-CA-C 117.024 1.894 . . . . 0.0 117.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' VAL . . . . . 0.497 HG22 HG23 ' F' ' 7' ' ' VAL . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 CA--C 1.502 -1.111 0 N-CA-C 113.098 0.384 . . . . 0.0 113.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 1' ' ' VAL 0.263 23.2 t . . . . . 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 N--CA 1.504 2.13 0 CA-C-O 122.026 0.761 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.515 HG13 HG22 ' C' ' 16' ' ' VAL . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.491 -1.637 0 N-CA-C 116.688 1.765 . . . . 0.0 116.688 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 CA--C 1.514 -0.483 0 CA-C-O 123.639 1.433 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' VAL . . . . . 0.515 HG22 HG13 ' B' ' 5' ' ' VAL . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t . . . . . 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.247 0.933 0 N-CA-C 119.302 2.77 . . . . 0.0 119.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.427 -2.422 0 CA-C-O 122.599 0.999 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t . . . . . 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.267 1.939 0 CA-C-O 117.315 -1.202 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo . . . . . 0 C--O 1.234 0.285 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 3' ' ' VAL . . . . . 0.438 HG23 ' H ' ' H' ' 3' ' ' VAL . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 4' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' H' ' 4' ' ' LYS . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 7' ' ' VAL . . . . . 0.425 HG22 ' H ' ' H' ' 8' ' ' LYS . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 8' ' ' LYS . . . . . 0.425 ' H ' HG22 ' H' ' 7' ' ' VAL . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t . . . . . 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 HG11 ' E' ' 5' ' ' VAL . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.436 -1.911 0 CA-C-O 122.842 1.101 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 HG22 ' E' ' 18' ' ' VAL . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.481 0.764 0 N-CA-C 115.103 1.155 . . . . 0.0 115.103 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.555 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.421 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.488 HG22 HG13 ' D' ' 16' ' ' VAL . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo . . . . . 0 CA--C 1.499 -1.241 0 N-CA-C 108.65 -1.327 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.264 1.798 0 N-CA-C 116.863 1.832 . . . . 0.0 116.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.488 HG13 HG22 ' C' ' 5' ' ' VAL . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.421 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.426 HG11 HG21 ' A' ' 5' ' ' VAL . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 CA--C 1.576 2.59 0 N-CA-C 105.979 -2.354 . . . . 0.0 105.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.428 HG22 HG21 ' A' ' 14' ' ' VAL . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.211 -0.84 0 N-CA-C 109.292 -1.08 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.423 -2.651 0 N-CA-C 106.407 -2.189 . . . . 0.0 106.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.422 -2.688 0 CA-C-O 115.854 -1.811 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.251 1.138 0 N-CA-C 106.121 -2.3 . . . . 0.0 106.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.433 HG12 HG13 ' F' ' 9' ' ' VAL . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.436 HG21 HG22 ' F' ' 9' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 N--CA 1.495 1.617 0 N-CA-C 116.575 1.721 . . . . 0.0 116.575 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.444 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.436 HG21 HG13 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' C' ' 17' ' ' LYS . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.556 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' D' ' 12' ' ' THR . 34.1 m . . . . . 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo . . . . . 0 C--O 1.204 -1.182 0 N-CA-C 106.766 -2.052 . . . . 0.0 106.766 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.556 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 18' ' ' VAL . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' C' ' 4' ' ' LYS . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 16' ' ' VAL . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 N-CA-C 113.826 0.664 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.548 HG23 HG12 ' C' ' 9' ' ' VAL 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 1' ' ' VAL . . . . . 0.421 HG13 HG22 ' F' ' 20' ' ' VAL . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo . . . . . 1 N--CA 1.394 -4.327 0 CA-C-O 117.037 -1.318 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 13' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 7' ' ' VAL . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.504 HG22 HG13 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' VAL . . . . . 0.436 HG22 HG21 ' B' ' 3' ' ' VAL . 65.0 t . . . . . 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo . . . . . 0 CA--C 1.489 -1.766 0 N-CA-C 108.573 -1.357 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.421 HG22 HG13 ' E' ' 1' ' ' VAL . 80.2 t . . . . . 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.422 HG21 HG21 ' C' ' 9' ' ' VAL . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 9' ' ' VAL . . . . . 0.436 HG13 HG21 ' C' ' 3' ' ' VAL . 5.0 t . . . . . 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.488 -1.815 0 N-CA-C 104.402 -2.961 . . . . 0.0 104.402 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.504 HG13 HG22 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.468 -2.785 0 CA-C-O 117.424 -1.157 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 12' ' ' THR . 2.9 p . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.43 -2.23 0 CA-C-O 118.433 -0.736 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 19' ' ' LYS . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.481 HG22 HG13 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 CA--C 1.56 1.798 0 CA-C-O 116.688 -1.463 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' VAL . . . . . 0.466 HG13 HG22 ' D' ' 20' ' ' VAL . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.438 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.51 HG21 HG13 ' G' ' 9' ' ' VAL . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.615 HG22 HG13 ' D' ' 16' ' ' VAL . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' D' ' 12' ' ' THR 0.287 1.7 m . . . . . 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.481 HG13 HG22 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.579 HG23 HG12 ' C' ' 9' ' ' VAL . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.536 HG11 HG21 ' H' ' 16' ' ' VAL 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.615 HG13 HG22 ' C' ' 5' ' ' VAL . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.422 HG13 HG22 ' C' ' 3' ' ' VAL . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.438 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.466 HG22 HG13 ' C' ' 1' ' ' VAL . 74.5 t . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 N-CA-C 104.6 -2.885 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 7' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 14' ' ' VAL . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 CA--C 1.456 -3.408 0 N-CA-C 118.264 2.371 . . . . 0.0 118.264 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 12' ' ' THR . . . . . 0.509 HG22 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 14' ' ' VAL . . . . . 0.509 HG23 HG22 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.554 HG22 HG13 ' H' ' 18' ' ' VAL . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 6' ' ' LYS . . . . . 0.428 ' HE2' ' HD3' ' H' ' 15' ' ' LYS . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 7' ' ' VAL . . . . . 0.577 HG23 HG22 ' H' ' 14' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 9' ' ' VAL . . . . . 0.51 HG13 HG21 ' C' ' 3' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 C--O 1.274 2.323 0 N-CA-C 113.812 0.658 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 14' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' F' ' 7' ' ' VAL . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.452 -3.621 0 N-CA-C 115.912 1.466 . . . . 0.0 115.912 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 14' ' ' VAL . . . . . 0.577 HG22 HG23 ' G' ' 7' ' ' VAL . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' HE2' ' G' ' 6' ' ' LYS . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 16' ' ' VAL . . . . . 0.536 HG21 HG11 ' D' ' 14' ' ' VAL . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.554 HG13 HG22 ' G' ' 3' ' ' VAL . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.4 -3.995 0 N-CA-C 115.368 1.257 . . . . 0.0 115.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 18' ' ' VAL . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.587 HG13 HG11 ' F' ' 1' ' ' VAL . 53.1 t . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.51 2.482 0 N-CA-C 116.197 1.576 . . . . 0.0 116.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.532 HG23 HG22 ' D' ' 14' ' ' VAL . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.277 2.445 0 CA-C-O 113.317 -2.868 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 3' ' ' VAL . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.246 0.878 0 CA-C-O 119.215 -0.411 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 HG23 ' C' ' 7' ' ' VAL . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.543 -0.599 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 1' ' ' VAL . . . . . 0.587 HG11 HG13 ' B' ' 9' ' ' VAL . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 5' ' ' VAL . . . . . 0.435 HG13 HG22 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 7' ' ' VAL . . . . . 0.404 HG21 HG11 ' B' ' 3' ' ' VAL . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.401 -3.959 0 CA-C-O 117.559 -1.1 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 CA--C 1.577 2.65 0 N-CA-C 102.938 -3.524 . . . . 0.0 102.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.435 HG22 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.483 0.866 0 CA-C-O 115.836 -1.818 . . . . 0.0 115.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t . . . . . 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.596 HG21 HG21 ' E' ' 7' ' ' VAL . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.456 -0.72 0 CA-C-O 116.309 -1.621 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.42 HG23 HG22 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 12' ' ' THR . 24.6 t . . . . . 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.501 1.926 0 CA-C-O 126.709 2.712 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.507 2.29 0 CA-C-O 116.448 -1.563 . . . . 0.0 115.635 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.479 HG23 HG22 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.42 HG22 HG23 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.237 0.437 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.682 HG13 HG22 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 3' ' ' VAL . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.464 -2.997 0 CA-C-O 118.795 -0.585 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.526 3.439 0 N-CA-C 108.271 -1.473 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' H' ' 14' ' ' VAL . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.403 -3.836 0 CA-C-O 115.917 -1.784 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 5' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.486 1.068 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' G' ' 7' ' ' VAL . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 16' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.444 HG21 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HB ' HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.495 -1.447 0 N-CA-C 106.26 -2.246 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.417 HG22 HG23 ' C' ' 12' ' ' THR . 99.0 t . . . . . 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 N--CA 1.515 2.778 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 7' ' ' VAL . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.524 HG23 HG22 ' D' ' 14' ' ' VAL 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 N--CA 1.442 -1.501 0 N-CA-C 105.606 -2.498 . . . . 0.0 105.606 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.417 HG23 HG22 ' B' ' 9' ' ' VAL . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.524 HG22 HG23 ' C' ' 7' ' ' VAL . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 7' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.435 -1.917 0 N-CA-C 116.017 1.507 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.472 HG13 HG22 ' G' ' 18' ' ' VAL . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 5' ' ' VAL . . . . . 0.453 HG22 HG13 ' G' ' 16' ' ' VAL . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 7' ' ' VAL . . . . . 0.406 HG23 HG22 ' G' ' 14' ' ' VAL . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 N--CA 1.428 -2.357 0 CA-C-O 128.67 3.529 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 1' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' H' ' 20' ' ' VAL . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.7 HG22 HG13 ' H' ' 18' ' ' VAL . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 14' ' ' VAL . . . . . 0.406 HG22 HG23 ' F' ' 7' ' ' VAL . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.453 HG13 HG22 ' F' ' 5' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.472 HG22 HG13 ' F' ' 3' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.497 -1.346 0 N-CA-C 109.111 -1.15 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.7 HG13 HG22 ' G' ' 3' ' ' VAL . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.543 ' HA ' HG22 ' G' ' 1' ' ' VAL . 41.5 t . . . . . 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG11 HG21 ' E' ' 5' ' ' VAL . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.401 HG11 HG21 ' E' ' 18' ' ' VAL . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' E' ' 1' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.456 -0.733 0 N-CA-C 110.357 -0.671 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG13 HG11 ' E' ' 14' ' ' VAL . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.445 HG22 HG13 ' C' ' 16' ' ' VAL 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.402 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t . . . . . 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.537 0.626 0 N-CA-C 115.874 1.452 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 HG21 ' F' ' 9' ' ' VAL . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.569 HG22 HG22 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 HG11 ' G' ' 18' ' ' VAL . 3.0 m . . . . . 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo . . . . . 1 CA--C 1.612 4.381 0 N-CA-C 113.147 0.403 . . . . 0.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' VAL . . . . . 0.445 HG13 HG22 ' B' ' 5' ' ' VAL . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo . . . . . 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.569 HG22 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 1' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 5' ' ' VAL . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.462 -3.103 0 N-CA-C 109.449 -1.02 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 14' ' ' VAL . . . . . 0.444 HG11 HG13 ' A' ' 18' ' ' VAL . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.401 HG21 HG11 ' A' ' 7' ' ' VAL . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 9' ' ' VAL . . . . . 0.443 HG21 HG11 ' B' ' 18' ' ' VAL . 48.6 t . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.516 -0.409 0 CA-C-O 117.273 -1.22 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 13' ' ' LYS . . . . . 0.489 ' H ' ' HD2' ' F' ' 13' ' ' LYS . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t . . . . . 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 CA--C 1.576 2.601 0 N-CA-C 107.98 -1.585 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.438 HG12 HG23 ' G' ' 18' ' ' VAL . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 HG23 ' C' ' 9' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.53 HG12 HG23 ' H' ' 20' ' ' VAL . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.53 HG23 HG12 ' H' ' 18' ' ' VAL . 41.1 t . . . . . 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.434 -2.028 0 CA-C-O 121.65 0.604 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 CA--C 1.549 1.238 0 CA-C-O 126.691 2.704 . . . . 0.0 117.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.409 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' D' ' 12' ' ' THR . 2.5 m . . . . . 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.436 -1.865 0 CA-C-O 122.978 1.157 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t . . . . . 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 1' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 20' ' ' VAL 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.19 -1.92 0 CA-C-O 116.462 -1.558 . . . . 0.0 114.699 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.464 HG23 ' CG1' ' C' ' 9' ' ' VAL . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.508 HG21 HG11 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 1' ' ' VAL 0.254 45.8 t . . . . . 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 CA--C 1.48 -2.201 0 CA-C-O 125.309 2.129 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 CA--C 1.545 1.072 0 CA-C-O 115.068 -2.138 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 9' ' ' VAL . . . . . 0.409 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t . . . . . 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.418 -2.92 0 N-CA-C 107.769 -1.666 . . . . 0.0 107.769 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 16' ' ' VAL . . . . . 0.508 HG11 HG21 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 15' ' ' LYS . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.461 ' N ' HG12 ' A' ' 14' ' ' VAL 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 HG13 ' C' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo . . . . . 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t . . . . . 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.457 HG22 HG22 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.412 -3.32 0 CA-C-O 122.806 1.086 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 1' ' ' VAL . 88.2 t . . . . . 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo . . . . . 0 C--O 1.26 1.616 0 N-CA-C 115.709 1.388 . . . . 0.0 115.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.457 HG22 HG22 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--O 1.211 -0.831 0 CA-C-O 117.842 -0.982 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.475 HG13 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 CA--C 1.562 1.886 0 CA-C-O 118.469 -0.721 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 7' ' ' VAL . . . . . 0.431 HG23 HG22 ' H' ' 14' ' ' VAL . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 C--O 1.288 2.985 0 CA-C-O 117.349 -1.188 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.475 HG22 HG13 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 N--CA 1.448 -1.163 0 N-CA-C 105.707 -2.459 . . . . 0.0 105.707 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 14' ' ' VAL . . . . . 0.431 HG22 HG23 ' G' ' 7' ' ' VAL . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' E' ' 20' ' ' VAL . 89.9 Cg_endo . . . . . 0 C--O 1.264 1.793 0 CA-C-O 116.276 -1.635 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.426 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.457 HG22 HG13 ' C' ' 20' ' ' VAL 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 3 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 N--CA 1.407 -3.587 0 N-CA-C 116.431 1.666 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.412 HG23 HG22 ' D' ' 14' ' ' VAL . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.487 HG11 HG11 ' G' ' 3' ' ' VAL . 17.7 m . . . . . 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.511 -0.659 0 N-CA-C 107.731 -1.68 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 1' ' ' VAL 0.291 29.3 t . . . . . 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.529 3.589 0 N-CA-C 117.98 2.262 . . . . 0.0 117.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.412 HG22 HG23 ' C' ' 7' ' ' VAL . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.571 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 7' ' ' VAL . . . . . 0.645 HG23 HG22 ' F' ' 14' ' ' VAL . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 N--CA 1.402 -3.864 0 N-CA-C 108.966 -1.205 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 20' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 11' ' ' PRO 0.275 38.2 t . . . . . 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 CA--C 1.485 -1.939 0 CA-C-O 121.911 0.713 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 14' ' ' VAL . . . . . 0.645 HG22 HG23 ' E' ' 7' ' ' VAL . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 16' ' ' VAL . . . . . 0.571 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.487 HG11 HG11 ' C' ' 9' ' ' VAL . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 CA-C-O 117.006 -1.331 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.461 -3.172 0 CA-C-O 118.766 -0.597 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 HG22 ' B' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p . . . . . 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.537 0.645 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 HG21 ' E' ' 12' ' ' THR 0.316 32.0 t . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.438 -1.794 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 1' ' ' VAL 0.281 22.5 t . . . . . 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.461 HG23 HG22 ' D' ' 14' ' ' VAL . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.419 HG11 HG11 ' G' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 N--CA 1.419 -2.873 0 CA-C-O 120.71 0.213 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo . . . . . 0 CA--C 1.486 -1.881 0 N-CA-C 114.533 0.936 . . . . 0.0 114.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.461 HG22 HG23 ' C' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 1' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' F' ' 20' ' ' VAL . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.477 HG22 HG13 ' F' ' 18' ' ' VAL . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' VAL . . . . . 0.473 HG22 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' VAL . . . . . 0.425 HG23 HG22 ' F' ' 12' ' ' THR . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo . . . . . 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 12' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 20' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t . . . . . 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo . . . . . 0 N--CA 1.451 -1.028 0 CA-C-O 116.195 -1.669 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 12' ' ' THR . . . . . 0.425 HG22 HG23 ' E' ' 7' ' ' VAL . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 16' ' ' VAL . . . . . 0.473 HG13 HG22 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.477 HG13 HG22 ' E' ' 3' ' ' VAL . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' E' ' 1' ' ' VAL . 75.3 t . . . . . 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 9' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.448 -1.174 0 N-CA-C 116.519 1.699 . . . . 0.0 116.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 7' ' ' VAL . . . . . 0.478 HG22 ' N ' ' H' ' 8' ' ' LYS . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 8' ' ' LYS . . . . . 0.478 ' N ' HG22 ' H' ' 7' ' ' VAL . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.423 -2.619 0 CA-C-O 114.733 -2.278 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 HG22 ' B' ' 16' ' ' VAL . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 HG22 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.406 -3.637 0 CA-C-O 123.171 1.238 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.543 HG22 HG13 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 N--CA 1.422 -2.69 0 N-CA-C 116.418 1.661 . . . . 0.0 116.418 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 5' ' ' VAL . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.633 HG21 HG13 ' G' ' 9' ' ' VAL . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 1 N--CA 1.383 -5.019 0 CA-C-O 120.608 0.17 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.543 HG13 HG22 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 1' ' ' VAL . . . . . 0.433 HG22 HG22 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.444 -1.392 0 CA-C-O 121.919 0.716 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.582 2.894 0 CA-C-O 121.516 0.548 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.433 HG22 HG22 ' E' ' 1' ' ' VAL . 26.2 t . . . . . 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.506 HG22 HG22 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 9' ' ' VAL . . . . . 0.633 HG13 HG21 ' C' ' 3' ' ' VAL . 4.9 t . . . . . 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 CA--C 1.596 3.624 0 N-CA-C 107.314 -1.841 . . . . 0.0 107.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 C--O 1.189 -1.938 0 N-CA-C 103.559 -3.285 . . . . 0.0 103.559 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.506 HG22 HG22 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.496 -1.42 0 CA-C-O 118.147 -0.855 . . . . 0.0 113.521 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.41 HG11 ' OG1' ' G' ' 12' ' ' THR . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.426 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.472 HG23 HG22 ' D' ' 14' ' ' VAL . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.468 HG12 HG23 ' D' ' 12' ' ' THR . 5.0 m . . . . . 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 CA--C 1.499 -1.238 0 CA-C-O 123.113 1.214 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.468 HG23 HG12 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.472 HG22 HG23 ' C' ' 7' ' ' VAL . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 CA--C 1.556 1.582 0 N-CA-C 119.29 2.765 . . . . 0.0 119.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 3' ' ' VAL . . . . . 0.413 HG22 HG13 ' G' ' 18' ' ' VAL . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 5' ' ' VAL . . . . . 0.524 HG13 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.591 3.353 0 N-CA-C 118.091 2.304 . . . . 0.0 118.091 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -3.063 0 N-CA-C 107.678 -1.701 . . . . 0.0 107.678 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 12' ' ' THR . . . . . 0.41 ' OG1' HG11 ' B' ' 1' ' ' VAL . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.524 HG22 HG13 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.413 HG13 HG22 ' F' ' 3' ' ' VAL . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 C--O 1.258 1.489 0 N-CA-C 107.679 -1.7 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t . . . . . 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.434 HG11 HG21 ' E' ' 9' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 HG22 ' B' ' 18' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 HG21 ' E' ' 18' ' ' VAL . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 12' ' ' THR . 9.9 p . . . . . 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.502 2.012 0 CA-C-O 118.195 -0.835 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.414 HG23 HG22 ' C' ' 14' ' ' VAL . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.564 HG11 HG21 ' F' ' 20' ' ' VAL 0.293 26.6 t . . . . . 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 N-CA-C 118.432 2.436 . . . . 0.0 118.432 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 3' ' ' VAL . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t . . . . . 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.579 HG22 HG13 ' D' ' 18' ' ' VAL . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.425 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.489 HG12 HG23 ' D' ' 12' ' ' THR . 31.0 m . . . . . 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.21 -1.881 . . . . 0.0 107.21 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' VAL . . . . . 0.414 HG22 HG23 ' B' ' 7' ' ' VAL . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 N--CA 1.405 -3.714 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 12' ' ' THR . . . . . 0.489 HG23 HG12 ' C' ' 9' ' ' VAL . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' VAL . . . . . 0.425 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.579 HG13 HG22 ' C' ' 3' ' ' VAL 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t . . . . . 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 2 1 . 1 . 019 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 1' ' ' VAL . 51.3 t . . . . . 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 1 N--CA 1.554 5.067 0 N-CA-C 114.386 0.879 . . . . 0.0 114.386 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.419 HG21 HG11 ' A' ' 7' ' ' VAL . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t . . . . . 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 5' ' ' VAL . . . . . 0.589 HG22 HG13 ' G' ' 16' ' ' VAL . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.583 2.932 0 CA-C-O 119.243 -0.399 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 20' ' ' VAL . . . . . 0.564 HG21 HG11 ' B' ' 9' ' ' VAL . 14.1 t . . . . . 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 1' ' ' VAL . . . . . 0.715 HG22 HG13 ' H' ' 20' ' ' VAL 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.409 HG22 HG22 ' H' ' 18' ' ' VAL . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 16' ' ' VAL . . . . . 0.589 HG13 HG22 ' F' ' 5' ' ' VAL . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 11' ' ' PRO . . . . . 0.401 ' HG2' HG23 ' H' ' 12' ' ' THR . 8.2 Cg_endo . . . . . 0 CA--C 1.494 -1.524 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 12' ' ' THR . . . . . 0.401 HG23 ' HG2' ' H' ' 11' ' ' PRO . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.409 HG22 HG22 ' G' ' 3' ' ' VAL . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.715 HG13 HG22 ' G' ' 1' ' ' VAL 0.319 7.5 t . . . . . 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG13 HG22 ' B' ' 16' ' ' VAL . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 114.484 -2.382 . . . . 0.0 106.586 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.441 -1.588 0 CA-C-O 124.612 1.838 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 5' ' ' VAL . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.544 HG13 HG22 ' D' ' 18' ' ' VAL . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.449 HG22 HG13 ' D' ' 16' ' ' VAL . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.496 1.631 0 CA-C-O 117.007 -1.33 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' VAL . . . . . 0.449 HG13 HG22 ' C' ' 5' ' ' VAL . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.544 HG22 HG13 ' C' ' 3' ' ' VAL . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.493 -1.538 0 N-CA-C 110.524 -0.606 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 C--O 1.255 1.355 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 1' ' ' VAL . . . . . 0.474 HG22 HG22 ' H' ' 20' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 7' ' ' VAL . . . . . 0.41 ' HB ' HG13 ' H' ' 14' ' ' VAL . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.287 2.969 0 CA-C-O 117.227 -1.239 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 14' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' G' ' 7' ' ' VAL . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 20' ' ' VAL . . . . . 0.474 HG22 HG22 ' G' ' 1' ' ' VAL . 8.3 t . . . . . 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.6 131.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -103.36 58.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.236 0 C-N-CA 124.413 3.409 . . . . 0.0 105.94 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t -108.31 131.41 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.85 0 O-C-N 117.281 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.421 HG22 HG13 ' C' ' 18' ' ' VAL . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.505 HG21 HG11 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.406 HG13 ' O ' ' C' ' 11' ' ' PRO . 56.1 t -120.09 109.72 26.77 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -62.65 -29.92 78.27 Favored 'Trans proline' 0 C--N 1.377 2.057 0 CA-C-N 125.197 2.892 . . . . 0.0 119.572 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.505 HG22 HG23 ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -81.81 -51.29 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 118.476 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 18' ' ' VAL . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.92 145.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 11' ' ' PRO . . . . . 0.406 ' O ' HG13 ' B' ' 9' ' ' VAL . 71.8 Cg_endo -101.96 62.67 0.03 OUTLIER 'Trans proline' 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 173.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' VAL . . . . . 0.441 HG12 HG23 ' C' ' 18' ' ' VAL . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.441 HG23 HG12 ' C' ' 16' ' ' VAL . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.83 -79.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 108.824 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t -119.75 102.29 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.59 -38.4 54.86 Favored 'Trans proline' 1 N--CA 1.386 -4.841 0 CA-C-N 127.964 3.88 . . . . 0.0 115.567 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 3' ' ' VAL . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.87 136.98 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 118.453 -2.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.35 104.67 15.79 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.63 7.21 0.75 Allowed 'Trans proline' 0 N--CA 1.524 3.311 0 CA-C-N 122.738 2.014 . . . . 0.0 115.258 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.99 111.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.189 0 O-C-N 125.938 2.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.505 HG11 HG21 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 4' ' ' LYS . . . . . 0.41 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' VAL . . . . . 0.484 HG13 HG22 ' G' ' 16' ' ' VAL . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LYS . . . . . 0.41 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.99 122.16 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.94 -10.16 18.11 Favored 'Trans proline' 0 CA--C 1.597 3.67 1 CA-C-N 130.69 4.854 . . . . 0.0 109.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.405 HG21 HG11 ' B' ' 7' ' ' VAL . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -118.32 110.52 30.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 125.51 1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' VAL . . . . . 0.611 HG22 HG22 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.426 HG22 HG13 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.78 104.99 17.96 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.63 -27.17 6.39 Favored 'Trans proline' 0 C--O 1.263 1.769 0 O-C-N 115.794 -2.793 . . . . 0.0 112.828 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.484 HG22 HG13 ' F' ' 5' ' ' VAL . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' VAL . . . . . 0.437 HG22 ' H ' ' G' ' 20' ' ' VAL . 24.1 m -83.04 57.93 0.16 Allowed 'Isoleucine or valine' 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 3' ' ' VAL . . . . . 0.401 ' H ' ' HB ' ' H' ' 18' ' ' VAL 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.48 114.36 46.46 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -84.6 10.05 3.88 Favored 'Trans proline' 0 CA--C 1.586 3.092 1 C-N-CA 126.753 4.968 . . . . 0.0 118.151 171.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.426 HG13 HG22 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.611 HG22 HG22 ' G' ' 1' ' ' VAL . 71.5 t -94.2 -79.55 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.062 0 O-C-N 119.028 -2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HB ' HG13 ' B' ' 14' ' ' VAL . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.56 130.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DPR . . . . . 0.478 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 10' ' ' DPR . 23.8 Cg_exo -101.34 13.65 0.41 Allowed 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 124.527 3.485 . . . . 0.0 111.891 -173.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t -100.95 77.42 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 1 CA-C-N 126.565 4.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.409 HG13 ' O ' ' C' ' 19' ' ' LYS . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.511 HG13 HG22 ' C' ' 18' ' ' VAL . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -119.87 105.09 16.59 Favored 'Isoleucine or valine' 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.43 -15.02 34.51 Favored 'Trans proline' 0 CA--C 1.477 -2.366 1 C-N-CA 127.748 5.632 . . . . 0.0 111.852 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 7' ' ' VAL . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.23 -67.08 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.783 1 O-C-N 114.131 -5.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.456 HG22 HG13 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.551 HG23 HG22 ' D' ' 14' ' ' VAL . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.51 159.49 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -99.72 99.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.777 0 C-N-CA 123.427 2.751 . . . . 0.0 110.375 163.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.511 HG22 HG13 ' B' ' 3' ' ' VAL . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.409 ' O ' HG13 ' B' ' 1' ' ' VAL . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -70.87 -48.84 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 122.102 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -126.83 98.16 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.75 -2.94 11.01 Favored 'Trans proline' 0 CA--C 1.553 1.446 0 CA-C-N 126.281 3.279 . . . . 0.0 113.12 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.551 HG22 HG23 ' C' ' 7' ' ' VAL . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.456 HG13 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 149.13 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 117.906 -2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' VAL . . . . . 0.418 HG13 HG22 ' F' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.586 HG22 HG13 ' F' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' F' ' 12' ' ' THR . 46.8 t -131.83 121.59 47.63 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -77.59 -4.62 14.78 Favored 'Trans proline' 0 C--O 1.281 2.662 0 CA-C-N 125.059 2.843 . . . . 0.0 118.639 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' VAL . . . . . 0.508 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.77 95.89 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.259 0 CA-C-N 114.246 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.91 107.82 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.45 -15.03 15.92 Favored 'Trans proline' 0 N--CA 1.431 -2.181 0 C-N-CA 124.542 3.495 . . . . 0.0 109.879 -173.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' THR . . . . . 0.504 ' HA ' HG22 ' E' ' 9' ' ' VAL . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' F' F ' 16' ' ' VAL . . . . . 0.586 HG13 HG22 ' E' ' 5' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.418 HG22 HG13 ' E' ' 1' ' ' VAL . 58.1 t -143.24 114.35 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.177 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.662 HG22 HG22 ' H' ' 18' ' ' VAL . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.27 102.97 9.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.71 -9.0 23.36 Favored 'Trans proline' 0 N--CA 1.515 2.786 0 C-N-CA 124.175 3.25 . . . . 0.0 117.373 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.411 HG12 HG13 ' G' ' 20' ' ' VAL . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' VAL . . . . . 0.411 HG13 HG12 ' G' ' 18' ' ' VAL . 4.2 m -112.61 60.68 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 118.245 -2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.16 140.44 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -109.7 73.43 0.01 OUTLIER 'Trans proline' 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 -176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.662 HG22 HG22 ' G' ' 3' ' ' VAL . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -107.92 -58.4 3.8 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 1 O-C-N 116.104 -4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG11 HG11 ' E' ' 18' ' ' VAL . 9.1 p -158.08 143.92 8.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -103.97 39.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.369 1.621 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.2 128.66 51.94 Favored 'Isoleucine or valine' 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 119.566 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 5' ' ' VAL . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.421 HG23 HG12 ' B' ' 3' ' ' VAL . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -122.73 93.96 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -61.28 -30.34 87.8 Favored 'Trans proline' 0 N--CA 1.441 -1.597 0 C-N-CA 125.046 3.83 . . . . 0.0 118.408 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG21 HG22 ' F' ' 16' ' ' VAL . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.99 -55.12 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 119.334 -2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.416 HG22 HG13 ' D' ' 18' ' ' VAL . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.469 HG13 HG22 ' D' ' 16' ' ' VAL . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.421 HG23 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m -149.73 144.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -123.38 70.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.491 -1.633 0 O-C-N 128.137 3.703 . . . . 0.0 106.529 164.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' C' ' 13' ' ' LYS . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LYS . . . . . 0.412 ' N ' HG22 ' C' ' 12' ' ' THR 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t -81.19 -72.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.19 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -113.64 101.44 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo -58.09 -1.42 0.61 Allowed 'Trans proline' 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 169.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.421 HG22 HG23 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 5' ' ' VAL . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' C' ' 3' ' ' VAL . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.25 91.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.161 1 O-C-N 115.432 -4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' VAL . . . . . 0.452 HG23 HG22 ' F' ' 14' ' ' VAL 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.98 121.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -91.87 -1.53 4.32 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 9' ' ' VAL . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.48 129.11 55.71 Favored 'Isoleucine or valine' 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 118.615 -2.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.75 100.83 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -93.83 15.74 1.26 Allowed 'Trans proline' 0 CA--C 1.563 1.964 0 C-N-CA 123.948 3.099 . . . . 0.0 111.564 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 14' ' ' VAL . . . . . 0.452 HG22 HG23 ' E' ' 7' ' ' VAL . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' VAL . . . . . 0.411 HG22 HG21 ' B' ' 16' ' ' VAL . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.03 129.94 74.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.841 0 CA-C-N 113.585 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.452 HG13 HG22 ' H' ' 18' ' ' VAL . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t -123.47 83.57 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.75 -15.56 30.03 Favored 'Trans proline' 0 C--N 1.392 2.859 0 CA-C-N 122.373 1.883 . . . . 0.0 111.864 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m -108.9 33.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.19 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.48 139.57 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -100.89 64.54 0.04 OUTLIER 'Trans proline' 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.452 HG22 HG13 ' G' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t -142.36 -73.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.409 0 CA-C-N 120.846 1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.3 134.87 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -115.19 30.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.484 -2.021 0 CA-C-N 127.947 3.874 . . . . 0.0 107.298 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.43 89.89 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 1 O-C-N 114.682 -5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' F' ' 3' ' ' VAL . 61.8 t -134.64 107.23 8.53 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' DPR . . . . . 0.462 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 10' ' ' DPR . 13.5 Cg_exo -76.57 -6.51 17.05 Favored 'Trans proline' 0 CA--C 1.464 -2.98 0 CA-C-N 124.074 2.491 . . . . 0.0 113.687 177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.84 -50.62 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 1 O-C-N 129.763 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.459 HG22 HG13 ' D' ' 18' ' ' VAL . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.441 HG11 HG11 ' G' ' 3' ' ' VAL . 4.2 m -140.31 149.1 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -107.46 68.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.517 2.872 0 CA-C-N 123.996 2.463 . . . . 0.0 114.868 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t -70.15 -60.24 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.749 0 CA-C-N 119.107 0.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -131.51 96.82 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -59.2 -30.43 93.0 Favored 'Trans proline' 0 N--CA 1.428 -2.332 0 CA-C-N 126.366 3.309 . . . . 0.0 119.176 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.403 HG23 HG12 ' C' ' 9' ' ' VAL . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 3' ' ' VAL 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.76 110.83 28.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.525 0 CA-C-N 112.917 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -131.5 123.74 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -103.56 -4.4 0.24 Allowed 'Trans proline' 0 C--N 1.39 2.735 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t -129.93 123.51 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' B' ' 9' ' ' VAL . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 7' ' ' VAL . . . . . 0.497 HG23 HG22 ' G' ' 14' ' ' VAL . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.48 111.46 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo -98.06 11.2 0.94 Allowed 'Trans proline' 0 C--N 1.327 -0.588 1 CA-C-N 129.842 4.551 . . . . 0.0 112.831 169.033 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.39 114.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.166 0 O-C-N 120.941 -1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.441 HG11 HG11 ' C' ' 9' ' ' VAL . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.59 95.98 2.64 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.87 -4.01 8.09 Favored 'Trans proline' 1 CA--C 1.442 -4.124 2 C-N-CA 125.785 4.323 . . . . 0.0 117.024 -179.12 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' VAL . . . . . 0.497 HG22 HG23 ' F' ' 7' ' ' VAL . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -91.21 16.17 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.961 0 O-C-N 123.889 0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -140.29 147.21 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -91.62 -19.16 0.83 Allowed 'Trans proline' 0 CA--C 1.502 -1.111 0 CA-C-N 119.019 0.685 . . . . 0.0 113.098 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 1' ' ' VAL 0.263 23.2 t -82.77 -70.13 0.47 Allowed 'Isoleucine or valine' 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.576 0 O-C-N 125.705 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.89 132.77 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -104.49 55.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.561 0 CA-C-N 127.361 3.665 . . . . 0.0 113.759 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -114.15 135.77 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.743 0 CA-C-N 120.426 1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.515 HG13 HG22 ' C' ' 16' ' ' VAL . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.12 117.01 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.61 -26.08 12.1 Favored 'Trans proline' 0 CA--C 1.491 -1.637 1 CA-C-N 129.585 4.459 . . . . 0.0 116.688 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t -91.7 -37.17 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 113.939 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.58 145.3 13.69 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -109.56 54.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.288 -2.656 0 C-N-CA 124.404 3.403 . . . . 0.0 109.898 167.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' VAL . . . . . 0.515 HG22 HG13 ' B' ' 5' ' ' VAL . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.82 -74.65 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -123.99 98.32 5.32 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -44.47 -46.84 11.66 Favored 'Trans proline' 0 C--N 1.289 -2.575 1 C-N-CA 128.391 6.061 . . . . 0.0 119.302 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.71 126.22 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.79 1 O-C-N 115.788 -4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -117.9 117.03 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -83.76 -5.33 10.69 Favored 'Trans proline' 0 N--CA 1.427 -2.422 0 C-N-CA 124.278 3.319 . . . . 0.0 112.626 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -121.37 118.09 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.402 2.887 0 CA-C-N 113.948 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t -153.75 128.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -92.83 12.74 1.91 Allowed 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.252 3.301 . . . . 0.0 113.256 172.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.57 120.1 40.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.214 0 O-C-N 121.082 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t -128.39 111.61 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -98.06 13.2 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.488 2.125 . . . . 0.0 107.54 -169.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -98.85 54.98 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.622 0 CA-C-N 113.025 -1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 3' ' ' VAL . . . . . 0.438 HG23 ' H ' ' H' ' 3' ' ' VAL . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 4' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' H' ' 4' ' ' LYS . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 7' ' ' VAL . . . . . 0.425 HG22 ' H ' ' H' ' 8' ' ' LYS . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 8' ' ' LYS . . . . . 0.425 ' H ' HG22 ' H' ' 7' ' ' VAL . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m -138.01 145.9 27.99 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -103.7 21.23 0.14 Allowed 'Trans proline' 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t -124.83 -80.79 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.9 1 O-C-N 116.052 -4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 HG11 ' E' ' 5' ' ' VAL . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.09 139.71 17.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -104.23 22.78 0.12 Allowed 'Trans proline' 0 C--N 1.273 -3.439 0 C-N-CA 124.007 3.138 . . . . 0.0 110.583 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 HG22 ' E' ' 18' ' ' VAL . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.97 118.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.906 0 CA-C-N 118.849 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -126.01 108.28 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -76.09 -14.78 18.72 Favored 'Trans proline' 0 C--N 1.293 -2.391 2 C-N-CA 125.684 4.256 . . . . 0.0 115.103 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.555 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.48 -77.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.04 0 CA-C-N 123.813 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.421 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.488 HG22 HG13 ' D' ' 16' ' ' VAL . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -150.24 141.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -107.76 74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.263 -3.944 0 CA-C-N 125.438 2.978 . . . . 0.0 108.65 163.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 21' ' ' NH2 . 88.4 t -79.09 -101.57 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . 0.413 ' N ' HG12 ' C' ' 20' ' ' VAL . . . . . . . . 0 C--N 1.365 1.246 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.18 98.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' DPR . . . . . 0.459 ' HA ' ' HD3' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' D' ' 10' ' ' DPR . 17.5 Cg_exo -64.76 -31.5 58.14 Favored 'Trans proline' 0 C--O 1.264 1.798 0 CA-C-N 123.28 2.207 . . . . 0.0 116.863 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.488 HG13 HG22 ' C' ' 5' ' ' VAL . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.421 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.73 133.91 64.98 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.368 0 O-C-N 118.613 -2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.426 HG11 HG21 ' A' ' 5' ' ' VAL . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.72 113.07 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -112.75 24.02 0.04 OUTLIER 'Trans proline' 0 CA--C 1.576 2.59 0 CA-C-N 127.652 3.769 . . . . 0.0 105.979 -165.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.428 HG22 HG21 ' A' ' 14' ' ' VAL . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -101.49 113.85 38.98 Favored 'Isoleucine or valine' 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 118.946 0.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -129.35 116.06 37.94 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.59 4.02 6.85 Favored 'Trans proline' 0 C--O 1.211 -0.84 1 C-N-CA 126.637 4.892 . . . . 0.0 109.292 176.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -113.44 127.57 70.69 Favored 'Isoleucine or valine' 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -115.51 99.41 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 10' ' ' DPR . . . . . 0.406 ' HG2' ' HB2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.58 -4.67 5.56 Favored 'Trans proline' 0 N--CA 1.423 -2.651 0 O-C-N 126.194 2.681 . . . . 0.0 106.407 -174.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m -85.41 -13.81 11.06 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.843 0 O-C-N 118.708 -2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.5 135.37 43.86 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 10' ' ' DPR . . . . . 0.493 ' HA ' ' HD2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 11' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' H' ' 10' ' ' DPR . 40.8 Cg_endo -93.19 -5.58 2.93 Favored 'Trans proline' 0 N--CA 1.422 -2.688 0 CA-C-N 123.376 2.241 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.96 -56.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.42 142.92 22.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -108.85 40.69 0.02 OUTLIER 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 123.379 2.72 . . . . 0.0 106.121 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.98 101.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.552 0 CA-C-N 118.81 0.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.433 HG12 HG13 ' F' ' 9' ' ' VAL . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.436 HG21 HG22 ' F' ' 9' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t -122.51 110.92 28.23 Favored 'Isoleucine or valine' 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -77.54 -20.32 12.34 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 CA-C-N 123.93 2.439 . . . . 0.0 116.575 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -92.0 -70.83 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.472 0 O-C-N 120.322 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.444 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.436 HG21 HG13 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' C' ' 17' ' ' LYS . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.556 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' D' ' 12' ' ' THR . 34.1 m -144.69 140.29 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -107.09 53.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.204 -1.182 1 CA-C-N 131.024 4.973 . . . . 0.0 106.766 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.556 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 18' ' ' VAL . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' C' ' 4' ' ' LYS . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 16' ' ' VAL . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.44 -93.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.958 0 O-C-N 118.836 -2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.69 102.88 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -60.86 -19.84 63.83 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 CA-C-N 127.763 3.808 . . . . 0.0 113.826 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.548 HG23 HG12 ' C' ' 9' ' ' VAL 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -117.28 106.94 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.221 0 CA-C-N 111.735 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' VAL . . . . . 0.421 HG13 HG22 ' F' ' 20' ' ' VAL . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.86 116.74 52.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -87.5 -0.69 7.5 Favored 'Trans proline' 1 N--CA 1.394 -4.327 0 CA-C-N 122.563 1.951 . . . . 0.0 111.689 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 7' ' ' VAL . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -85.4 124.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 120.621 1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.504 HG22 HG13 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 9' ' ' VAL . . . . . 0.436 HG22 HG21 ' B' ' 3' ' ' VAL . 65.0 t -131.81 117.72 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -95.3 21.17 0.51 Allowed 'Trans proline' 0 CA--C 1.489 -1.766 0 O-C-N 116.277 -2.538 . . . . 0.0 108.573 -169.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.421 HG22 HG13 ' E' ' 1' ' ' VAL . 80.2 t -129.78 115.02 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.669 0 O-C-N 118.562 -2.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.422 HG21 HG21 ' C' ' 9' ' ' VAL . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 9' ' ' VAL . . . . . 0.436 HG13 HG21 ' C' ' 3' ' ' VAL . 5.0 t -121.42 114.27 42.53 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -104.22 35.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.282 -2.973 0 CA-C-N 126.62 3.4 . . . . 0.0 104.402 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.504 HG13 HG22 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.18 0.28 2.95 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.461 0 O-C-N 119.157 -2.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.55 137.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -83.27 -7.0 11.03 Favored 'Trans proline' 0 CA--C 1.468 -2.785 0 CA-C-N 123.696 2.356 . . . . 0.0 114.025 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -105.34 -66.57 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.888 0 O-C-N 117.484 -3.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 12' ' ' THR . 2.9 p -148.78 147.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -109.33 32.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.23 0 C-N-CA 124.07 3.18 . . . . 0.0 112.131 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.73 139.09 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.404 0 O-C-N 117.835 -3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 19' ' ' LYS . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.481 HG22 HG13 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -70.23 -31.28 18.71 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 125.5 3.0 . . . . 0.0 115.75 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -91.77 -61.79 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' VAL . . . . . 0.466 HG13 HG22 ' D' ' 20' ' ' VAL . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.438 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.51 HG21 HG13 ' G' ' 9' ' ' VAL . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.615 HG22 HG13 ' D' ' 16' ' ' VAL . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' D' ' 12' ' ' THR 0.287 1.7 m -140.53 143.63 28.78 Favored 'Isoleucine or valine' 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -105.25 61.48 0.02 OUTLIER 'Trans proline' 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.481 HG13 HG22 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t -72.02 -62.15 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.095 0 O-C-N 116.927 -3.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -135.7 102.16 3.24 Favored 'Isoleucine or valine' 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' DPR . . . . . 0.488 ' HA ' ' HD2' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' D' ' 10' ' ' DPR . 59.6 Cg_endo -80.71 -1.77 11.47 Favored 'Trans proline' 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.579 HG23 HG12 ' C' ' 9' ' ' VAL . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.536 HG11 HG21 ' H' ' 16' ' ' VAL 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.615 HG13 HG22 ' C' ' 5' ' ' VAL . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.422 HG13 HG22 ' C' ' 3' ' ' VAL . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.438 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.466 HG22 HG13 ' C' ' 1' ' ' VAL . 74.5 t -131.95 130.85 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 O-C-N 119.171 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.91 117.87 23.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -96.15 -1.44 2.01 Favored 'Trans proline' 0 C--N 1.372 1.788 0 CA-C-N 126.571 3.382 . . . . 0.0 104.6 -166.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.12 117.21 33.92 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.198 0 O-C-N 118.902 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 7' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 14' ' ' VAL . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.71 95.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -62.4 -11.71 24.11 Favored 'Trans proline' 0 CA--C 1.456 -3.408 1 O-C-N 111.953 -4.814 . . . . 0.0 118.264 177.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 12' ' ' THR . . . . . 0.509 HG22 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' VAL . . . . . 0.509 HG23 HG22 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -126.43 137.88 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 123.802 0.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.554 HG22 HG13 ' H' ' 18' ' ' VAL . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 6' ' ' LYS . . . . . 0.428 ' HE2' ' HD3' ' H' ' 15' ' ' LYS . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 7' ' ' VAL . . . . . 0.577 HG23 HG22 ' H' ' 14' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 9' ' ' VAL . . . . . 0.51 HG13 HG21 ' C' ' 3' ' ' VAL . 94.4 t -120.15 110.42 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -70.39 -10.64 28.51 Favored 'Trans proline' 0 C--O 1.274 2.323 0 CA-C-N 124.392 2.604 . . . . 0.0 113.812 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 14' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' F' ' 7' ' ' VAL . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m -75.58 -27.39 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.208 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.22 131.88 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -94.94 5.5 2.36 Favored 'Trans proline' 0 CA--C 1.452 -3.621 0 C-N-CA 124.575 3.516 . . . . 0.0 115.912 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 14' ' ' VAL . . . . . 0.577 HG22 HG23 ' G' ' 7' ' ' VAL . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' HE2' ' G' ' 6' ' ' LYS . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 16' ' ' VAL . . . . . 0.536 HG21 HG11 ' D' ' 14' ' ' VAL . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.554 HG13 HG22 ' G' ' 3' ' ' VAL . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.35 -48.07 14.38 Favored 'Isoleucine or valine' 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.791 0 O-C-N 119.191 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.93 147.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -93.27 48.17 0.36 Allowed 'Trans proline' 0 N--CA 1.4 -3.995 0 CA-C-N 123.42 2.257 . . . . 0.0 115.368 173.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t -104.7 115.22 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.581 0 CA-C-N 118.534 0.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 18' ' ' VAL . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.587 HG13 HG11 ' F' ' 1' ' ' VAL . 53.1 t -127.42 103.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -59.89 -40.28 64.21 Favored 'Trans proline' 0 N--CA 1.51 2.482 0 CA-C-N 126.98 3.529 . . . . 0.0 116.197 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.06 -62.81 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.617 0 O-C-N 117.244 -3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.532 HG23 HG22 ' D' ' 14' ' ' VAL . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.66 130.23 31.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -108.98 78.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.289 -2.58 0 CA-C-N 125.439 2.978 . . . . 0.0 111.255 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 3' ' ' VAL . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.3 -70.27 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 112.205 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.49 101.83 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.36 -23.79 9.81 Favored 'Trans proline' 0 C--N 1.292 -2.423 0 CA-C-N 124.928 2.796 . . . . 0.0 111.35 -170.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 HG23 ' C' ' 7' ' ' VAL . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.5 139.39 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 117.003 -3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -145.17 123.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -97.99 15.82 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 CA-C-N 120.491 1.211 . . . . 0.0 110.543 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t -79.18 126.04 38.8 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.58 0 CA-C-N 110.038 -3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' VAL . . . . . 0.587 HG11 HG13 ' B' ' 9' ' ' VAL . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 5' ' ' VAL . . . . . 0.435 HG13 HG22 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' VAL . . . . . 0.404 HG21 HG11 ' B' ' 3' ' ' VAL . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.08 109.65 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -98.54 -6.55 0.71 Allowed 'Trans proline' 0 N--CA 1.401 -3.959 0 C-N-CA 124.936 3.757 . . . . 0.0 111.398 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.87 124.64 59.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 CA-C-N 114.915 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -129.64 107.03 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -94.61 8.78 2.04 Favored 'Trans proline' 0 CA--C 1.577 2.65 1 CA-C-N 128.99 4.246 . . . . 0.0 102.938 -176.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.435 HG22 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.64 -8.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.825 0 O-C-N 125.06 1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -148.7 143.45 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 10' ' ' DPR . . . . . 0.406 ' HA ' ' HD2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 11' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' H' ' 10' ' ' DPR . 67.4 Cg_endo -69.02 0.55 4.93 Favored 'Trans proline' 0 C--N 1.362 1.281 1 C-N-CA 125.752 4.301 . . . . 0.0 115.019 177.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.26 -53.94 9.32 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.573 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.596 HG21 HG21 ' E' ' 7' ' ' VAL . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 116.58 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DPR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 10' ' ' DPR . 9.1 Cg_exo -71.31 -16.08 31.38 Favored 'Trans proline' 0 N--CA 1.456 -0.72 3 O-C-N 111.267 -5.175 . . . . 0.0 110.627 -168.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.73 114.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 123.116 0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.42 HG23 HG22 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 12' ' ' THR . 24.6 t -130.45 126.39 60.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.5 -34.58 33.13 Favored 'Trans proline' 1 C--N 1.257 -4.256 0 CA-C-N 125.661 3.058 . . . . 0.0 116.431 170.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.44 -41.9 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.922 -1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.12 126.83 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' DPR . . . . . 0.446 ' HA ' ' HD2' ' C' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 10' ' ' DPR . 53.9 Cg_endo -82.99 -4.15 11.2 Favored 'Trans proline' 0 N--CA 1.507 2.29 0 C-N-CA 122.302 2.001 . . . . 0.0 115.635 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.479 HG23 HG22 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.42 HG22 HG23 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.74 -68.69 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.803 0 O-C-N 119.741 -1.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.79 84.98 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -59.51 -11.03 12.63 Favored 'Trans proline' 0 C--N 1.368 1.574 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.682 HG13 HG22 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.26 115.87 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.286 1 CA-C-N 106.947 -4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 3' ' ' VAL . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t -130.01 115.94 35.21 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -92.09 -5.46 3.58 Favored 'Trans proline' 0 CA--C 1.464 -2.997 0 CA-C-N 123.378 2.242 . . . . 0.0 111.596 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.66 122.55 41.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.925 1 O-C-N 115.662 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.14 122.36 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -107.81 34.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 0 CA-C-N 121.93 1.725 . . . . 0.0 108.271 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.18 133.44 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.304 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' H' ' 14' ' ' VAL . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 110.83 18.17 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -88.33 17.91 1.59 Allowed 'Trans proline' 0 N--CA 1.403 -3.836 0 CA-C-N 127.555 3.734 . . . . 0.0 108.633 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -91.72 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 124.453 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 5' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.69 142.19 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -95.53 6.3 2.06 Favored 'Trans proline' 0 N--CA 1.486 1.068 0 C-N-CA 124.774 3.65 . . . . 0.0 112.819 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' G' ' 7' ' ' VAL . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 16' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t -89.54 -51.01 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 121.419 1.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.444 HG21 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HB ' HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.17 121.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -98.58 18.2 0.43 Allowed 'Trans proline' 0 CA--C 1.495 -1.447 0 O-C-N 115.358 -3.022 . . . . 0.0 106.26 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.83 119.36 60.76 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.767 -1.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.417 HG22 HG23 ' C' ' 12' ' ' THR . 99.0 t -138.34 127.07 31.25 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -81.99 -4.79 12.07 Favored 'Trans proline' 0 C--N 1.273 -3.413 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 168.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 7' ' ' VAL . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -90.33 -58.22 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.461 0 O-C-N 120.632 -1.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.524 HG23 HG22 ' D' ' 14' ' ' VAL 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.4 143.53 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -111.01 21.43 0.05 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 127.085 5.19 . . . . 0.0 105.606 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.417 HG23 HG22 ' B' ' 9' ' ' VAL . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t -84.58 -55.83 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.101 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -129.58 109.08 17.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.76 -0.28 9.66 Favored 'Trans proline' 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.524 HG22 HG23 ' C' ' 7' ' ' VAL . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -108.54 101.53 12.68 Favored 'Isoleucine or valine' 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.05 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 7' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t -121.02 130.05 75.08 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -69.32 -11.68 31.98 Favored 'Trans proline' 0 N--CA 1.435 -1.917 0 CA-C-N 127.127 3.581 . . . . 0.0 116.017 170.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.29 101.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 117.412 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.472 HG13 HG22 ' G' ' 18' ' ' VAL . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 5' ' ' VAL . . . . . 0.453 HG22 HG13 ' G' ' 16' ' ' VAL . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 7' ' ' VAL . . . . . 0.406 HG23 HG22 ' G' ' 14' ' ' VAL . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.69 94.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.93 -0.3 10.51 Favored 'Trans proline' 0 N--CA 1.428 -2.357 0 O-C-N 113.574 -3.961 . . . . 0.0 112.205 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 43.9 t -104.14 88.51 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.693 0 CA-C-N 113.811 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 1' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' H' ' 20' ' ' VAL . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.7 HG22 HG13 ' H' ' 18' ' ' VAL . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -128.36 111.16 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -97.55 13.71 0.82 Allowed 'Trans proline' 0 CA--C 1.555 1.538 1 CA-C-N 130.628 4.831 . . . . 0.0 108.331 -171.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 14' ' ' VAL . . . . . 0.406 HG22 HG23 ' F' ' 7' ' ' VAL . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.453 HG13 HG22 ' F' ' 5' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.472 HG22 HG13 ' F' ' 3' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.64 -12.11 12.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.501 0 O-C-N 119.138 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.98 138.23 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -110.44 39.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.015 1 CA-C-N 129.355 4.377 . . . . 0.0 109.111 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.7 HG13 HG22 ' G' ' 3' ' ' VAL . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.543 ' HA ' HG22 ' G' ' 1' ' ' VAL . 41.5 t -80.64 -48.6 19.49 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.541 0 CA-C-N 115.553 -0.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG11 HG21 ' E' ' 5' ' ' VAL . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG11 HG21 ' E' ' 18' ' ' VAL . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' DPR . 14.9 p -138.38 128.24 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DPR . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.31 -16.97 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.646 3.564 . . . . 0.0 110.357 -165.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG13 HG11 ' E' ' 14' ' ' VAL . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t -136.62 111.41 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.314 0 O-C-N 121.174 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.445 HG22 HG13 ' C' ' 16' ' ' VAL 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.402 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t -117.2 115.16 47.92 Favored 'Isoleucine or valine' 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -84.15 -7.83 10.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 116.954 -1.564 . . . . 0.0 115.874 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 HG21 ' F' ' 9' ' ' VAL . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -113.09 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.268 0 CA-C-N 118.449 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.569 HG22 HG22 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 HG11 ' G' ' 18' ' ' VAL . 3.0 m -146.33 134.23 15.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -100.14 56.85 0.04 OUTLIER 'Trans proline' 1 CA--C 1.612 4.381 0 CA-C-N 122.502 1.929 . . . . 0.0 113.147 165.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' VAL . . . . . 0.445 HG13 HG22 ' B' ' 5' ' ' VAL . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.47 -70.66 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.609 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.3 103.6 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -60.31 -12.54 20.51 Favored 'Trans proline' 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.569 HG22 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.63 126.66 73.24 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.334 0 O-C-N 116.76 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 5' ' ' VAL . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.8 116.55 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' DPR . . . . . 0.413 ' HA ' ' HD3' ' E' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' E' ' 10' ' ' DPR . 71.6 Cg_endo -114.94 30.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.462 -3.103 0 O-C-N 124.473 1.775 . . . . 0.0 109.449 -170.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 14' ' ' VAL . . . . . 0.444 HG11 HG13 ' A' ' 18' ' ' VAL . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.401 HG21 HG11 ' A' ' 7' ' ' VAL . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.02 138.9 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.392 2.451 1 O-C-N 112.829 -6.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 9' ' ' VAL . . . . . 0.443 HG21 HG11 ' B' ' 18' ' ' VAL . 48.6 t -114.68 105.01 17.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.54 -17.01 26.97 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.712 1.608 . . . . 0.0 112.375 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 13' ' ' LYS . . . . . 0.489 ' H ' ' HD2' ' F' ' 13' ' ' LYS . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t -82.7 133.39 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.997 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.14 117.68 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -89.8 3.67 5.12 Favored 'Trans proline' 0 CA--C 1.576 2.601 0 C-N-CA 124.641 3.561 . . . . 0.0 107.98 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.438 HG12 HG23 ' G' ' 18' ' ' VAL . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 HG23 ' C' ' 9' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.56 -32.05 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.084 0 CA-C-N 120.561 1.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.23 148.18 22.74 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -111.05 35.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.53 HG12 HG23 ' H' ' 20' ' ' VAL . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.53 HG23 HG12 ' H' ' 18' ' ' VAL . 41.1 t -110.57 -72.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.984 0 O-C-N 128.411 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.98 111.34 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.55 -16.37 4.73 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 CA-C-N 123.436 2.263 . . . . 0.0 112.224 -174.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -140.61 127.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 CA-C-N 121.872 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.34 96.32 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.05 -15.54 43.4 Favored 'Trans proline' 0 C--N 1.281 -2.993 0 C-N-CA 124.763 3.642 . . . . 0.0 117.291 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.46 -63.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.608 0 CA-C-N 119.61 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.409 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' D' ' 12' ' ' THR . 2.5 m -141.62 146.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -113.84 70.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.865 0 O-C-N 125.441 2.285 . . . . 0.0 112.542 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t -83.03 -82.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.357 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 20' ' ' VAL 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.46 98.02 5.37 Favored 'Isoleucine or valine' 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -13.32 31.86 Favored 'Trans proline' 0 C--N 1.285 -2.803 0 CA-C-N 123.859 2.414 . . . . 0.0 114.699 -174.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.464 HG23 ' CG1' ' C' ' 9' ' ' VAL . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.508 HG21 HG11 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 1' ' ' VAL 0.254 45.8 t -115.7 100.71 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.211 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t -134.93 130.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -103.78 58.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.294 -2.336 1 O-C-N 129.104 4.213 . . . . 0.0 109.694 172.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.87 109.78 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.794 1 O-C-N 113.95 -5.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.27 109.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -83.47 1.65 8.83 Favored 'Trans proline' 0 C--N 1.292 -2.425 0 CA-C-N 127.205 3.609 . . . . 0.0 111.927 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.85 140.55 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 125.2 1.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' VAL . . . . . 0.409 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t -144.51 109.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 10' ' ' DPR . . . . . 0.411 ' HA ' ' HD2' ' G' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' G' ' 10' ' ' DPR . 59.9 Cg_endo -68.92 -6.9 19.27 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.07 19.53 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -142.78 158.03 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -106.0 40.08 0.04 OUTLIER 'Trans proline' 0 N--CA 1.418 -2.92 0 CA-C-N 126.571 3.382 . . . . 0.0 107.769 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 16' ' ' VAL . . . . . 0.508 HG11 HG21 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.22 -64.97 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.244 0 O-C-N 124.66 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -149.05 110.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -104.6 -4.96 0.18 Allowed 'Trans proline' 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 -168.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 15' ' ' LYS . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' N ' HG12 ' A' ' 14' ' ' VAL 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t -134.11 116.92 23.95 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.547 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 HG13 ' C' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -130.15 109.1 16.93 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -59.64 -33.95 96.58 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 171.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t -99.01 -67.82 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.226 0 CA-C-N 122.074 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.457 HG22 HG22 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.19 151.45 35.89 Favored 'Isoleucine or valine' 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -99.51 69.23 0.06 OUTLIER 'Trans proline' 0 N--CA 1.412 -3.32 0 CA-C-N 127.231 3.618 . . . . 0.0 110.811 165.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 1' ' ' VAL . 88.2 t -81.49 -66.06 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.145 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.34 117.08 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -73.97 -14.33 23.79 Favored 'Trans proline' 0 C--O 1.26 1.616 0 C-N-CA 124.232 3.288 . . . . 0.0 115.709 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.457 HG22 HG22 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t -115.99 92.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.588 0 O-C-N 117.704 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t -131.86 116.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.31 23.82 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 124.438 3.425 . . . . 0.0 111.246 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -78.92 108.63 12.71 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 O-C-N 121.552 -0.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.475 HG13 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.45 123.38 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -81.04 -18.84 8.6 Favored 'Trans proline' 0 CA--C 1.562 1.886 3 C-N-CA 126.131 4.554 . . . . 0.0 112.782 172.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -96.05 120.19 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.018 0 O-C-N 126.173 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 7' ' ' VAL . . . . . 0.431 HG23 HG22 ' H' ' 14' ' ' VAL . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.42 99.63 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -86.65 3.88 6.56 Favored 'Trans proline' 0 C--O 1.288 2.985 0 CA-C-N 125.803 3.108 . . . . 0.0 112.507 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.475 HG22 HG13 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.94 -15.26 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.293 0 CA-C-N 123.892 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -151.01 132.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -113.04 38.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 CA-C-N 126.559 3.378 . . . . 0.0 105.707 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 14' ' ' VAL . . . . . 0.431 HG22 HG23 ' G' ' 7' ' ' VAL . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.78 -52.03 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.108 0 O-C-N 120.36 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p -131.29 124.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' E' ' 20' ' ' VAL . 89.9 Cg_endo -93.38 7.63 2.67 Favored 'Trans proline' 0 C--O 1.264 1.793 0 CA-C-N 127.715 3.791 . . . . 0.0 109.731 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.33 131.72 57.94 Favored 'Isoleucine or valine' 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.29 0 O-C-N 121.52 -0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.457 HG22 HG13 ' C' ' 20' ' ' VAL 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.37 112.67 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -74.86 -15.23 21.22 Favored 'Trans proline' 0 N--CA 1.407 -3.587 1 C-N-CA 127.71 5.606 . . . . 0.0 116.431 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.38 -66.31 1.38 Allowed 'Isoleucine or valine' 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.548 0 CA-C-N 125.096 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.412 HG23 HG22 ' D' ' 14' ' ' VAL . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.487 HG11 HG11 ' G' ' 3' ' ' VAL . 17.7 m -143.57 157.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -105.69 84.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 114.575 -3.15 . . . . 0.0 107.731 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 1' ' ' VAL 0.291 29.3 t -86.65 -79.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 121.464 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.22 102.03 11.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.61 -23.05 54.98 Favored 'Trans proline' 0 N--CA 1.529 3.589 0 CA-C-N 124.509 2.646 . . . . 0.0 117.98 171.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.412 HG22 HG23 ' C' ' 7' ' ' VAL . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.1 109.11 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 2 O-C-N 115.611 -4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.571 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' VAL . . . . . 0.645 HG23 HG22 ' F' ' 14' ' ' VAL . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' VAL . . . . . 0.471 ' O ' ' C ' ' E' ' 10' ' ' DPR . 0.7 OUTLIER -131.31 117.82 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 10' ' ' DPR . . . . . 0.471 ' C ' ' O ' ' E' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -106.54 53.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.402 -3.864 0 CA-C-N 127.582 3.744 . . . . 0.0 108.966 -173.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 20' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 11' ' ' PRO 0.275 38.2 t -77.75 109.63 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.156 0 O-C-N 118.662 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.66 106.21 20.32 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -80.74 -12.84 12.1 Favored 'Trans proline' 0 CA--C 1.485 -1.939 0 CA-C-N 124.038 2.478 . . . . 0.0 113.573 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 14' ' ' VAL . . . . . 0.645 HG22 HG23 ' E' ' 7' ' ' VAL . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 16' ' ' VAL . . . . . 0.571 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.82 120.39 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.345 0 CA-C-N 123.846 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.487 HG11 HG11 ' C' ' 9' ' ' VAL . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.37 108.87 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -85.19 14.53 2.45 Favored 'Trans proline' 0 C--N 1.39 2.716 0 CA-C-N 122.896 2.07 . . . . 0.0 109.133 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.9 m -84.17 -22.85 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.655 0 O-C-N 123.834 0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.9 138.88 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -105.45 21.04 0.11 Allowed 'Trans proline' 0 CA--C 1.461 -3.172 0 CA-C-N 122.929 2.082 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.65 -63.71 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 119.73 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 HG22 ' B' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p -143.88 132.88 19.52 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -98.34 5.12 1.22 Allowed 'Trans proline' 0 C--N 1.382 2.313 0 O-C-N 123.842 1.443 . . . . 0.0 109.815 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 HG21 ' E' ' 12' ' ' THR 0.316 32.0 t -142.65 117.75 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.11 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.17 110.07 4.68 Favored 'Isoleucine or valine' 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' DPR . . . . . 0.412 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 10' ' ' DPR . 37.4 Cg_exo -85.81 -23.47 2.09 Favored 'Trans proline' 0 N--CA 1.438 -1.794 0 C-N-CA 124.575 3.516 . . . . 0.0 114.542 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 1' ' ' VAL 0.281 22.5 t -118.07 -47.27 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.305 0 CA-C-N 123.549 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.461 HG23 HG22 ' D' ' 14' ' ' VAL . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.419 HG11 HG11 ' G' ' 3' ' ' VAL . 0.4 OUTLIER -156.82 158.95 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.86 68.91 0.4 Allowed 'Trans proline' 0 N--CA 1.419 -2.873 0 C-N-CA 123.687 2.925 . . . . 0.0 111.643 146.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -80.4 -62.31 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 121.536 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -135.51 104.95 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -65.72 -24.34 54.98 Favored 'Trans proline' 0 C--N 1.378 2.123 0 CA-C-N 121.873 1.704 . . . . 0.0 114.533 175.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.461 HG22 HG23 ' C' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.72 120.83 60.89 Favored 'Isoleucine or valine' 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 117.379 -3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' F' ' 20' ' ' VAL . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.477 HG22 HG13 ' F' ' 18' ' ' VAL . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' VAL . . . . . 0.473 HG22 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' VAL . . . . . 0.425 HG23 HG22 ' F' ' 12' ' ' THR . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.35 118.96 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -57.07 -20.27 36.73 Favored 'Trans proline' 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t -100.58 132.12 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.846 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -109.47 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -69.67 -12.03 32.2 Favored 'Trans proline' 0 C--N 1.367 1.527 1 C-N-CA 127.486 5.457 . . . . 0.0 112.888 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 12' ' ' THR . . . . . 0.425 HG22 HG23 ' E' ' 7' ' ' VAL . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 16' ' ' VAL . . . . . 0.473 HG13 HG22 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.477 HG13 HG22 ' E' ' 3' ' ' VAL . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' E' ' 1' ' ' VAL . 75.3 t -87.89 141.95 13.61 Favored 'Isoleucine or valine' 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.871 0 O-C-N 121.139 -0.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 9' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t -132.7 110.49 15.86 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 10' ' ' DPR . . . . . 0.416 ' HA ' ' HD2' ' G' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 11' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' G' ' 10' ' ' DPR . 4.1 Cg_endo -70.92 -7.35 21.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 1 C-N-CA 126.206 4.604 . . . . 0.0 116.519 174.376 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.72 -1.34 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.603 0 CA-C-N 125.643 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 7' ' ' VAL . . . . . 0.478 HG22 ' N ' ' H' ' 8' ' ' LYS . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 8' ' ' LYS . . . . . 0.478 ' N ' HG22 ' H' ' 7' ' ' VAL . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.12 21.76 Favored 'Isoleucine or valine' 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -96.02 12.37 1.25 Allowed 'Trans proline' 0 N--CA 1.423 -2.619 0 C-N-CA 124.779 3.653 . . . . 0.0 109.184 177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t -94.85 -54.8 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.162 0 O-C-N 116.359 -3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 HG22 ' B' ' 16' ' ' VAL . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 HG22 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.4 141.65 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -98.79 51.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.406 -3.637 0 C-N-CA 123.558 2.838 . . . . 0.0 113.558 172.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -117.2 94.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.141 0 O-C-N 118.238 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.543 HG22 HG13 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.93 113.55 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.78 -28.49 82.33 Favored 'Trans proline' 0 N--CA 1.422 -2.69 1 CA-C-N 129.965 4.595 . . . . 0.0 116.418 174.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 5' ' ' VAL . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.83 -57.93 4.18 Favored 'Isoleucine or valine' 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 124.554 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.633 HG21 HG13 ' G' ' 9' ' ' VAL . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 m -149.73 143.53 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -119.35 42.05 0.0 OUTLIER 'Trans proline' 1 N--CA 1.383 -5.019 0 O-C-N 125.191 2.153 . . . . 0.0 111.97 170.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.543 HG13 HG22 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.53 -81.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.67 0 O-C-N 126.094 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.85 101.05 11.89 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -70.75 -11.57 29.73 Favored 'Trans proline' 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 176.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.9 132.83 70.62 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' VAL . . . . . 0.433 HG22 HG22 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.58 118.39 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.87 -33.4 33.57 Favored 'Trans proline' 0 N--CA 1.444 -1.392 1 CA-C-N 128.78 4.171 . . . . 0.0 113.751 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.27 111.79 19.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.458 5.296 1 O-C-N 111.954 -6.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 9' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' F' ' 10' ' ' DPR . 65.6 t -128.89 119.17 48.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 10' ' ' DPR . . . . . 0.465 ' HD3' ' HA ' ' F' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -85.29 -1.47 9.21 Favored 'Trans proline' 0 CA--C 1.582 2.894 0 CA-C-N 123.888 2.424 . . . . 0.0 112.288 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.433 HG22 HG22 ' E' ' 1' ' ' VAL . 26.2 t -114.67 127.34 72.22 Favored 'Isoleucine or valine' 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.513 0 CA-C-N 114.928 -1.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.506 HG22 HG22 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 9' ' ' VAL . . . . . 0.633 HG13 HG21 ' C' ' 3' ' ' VAL . 4.9 t -140.25 102.94 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -105.87 46.43 0.02 OUTLIER 'Trans proline' 0 CA--C 1.596 3.624 0 CA-C-N 122.414 1.898 . . . . 0.0 107.314 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m -81.16 -32.24 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.395 2.56 0 CA-C-N 120.459 1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -141.03 156.84 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -111.69 23.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.288 -2.647 0 CA-C-N 126.394 3.319 . . . . 0.0 103.559 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.506 HG22 HG22 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.11 -65.27 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.02 0 CA-C-N 111.042 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' DPR . 5.2 p -116.44 132.62 65.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DPR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -99.07 17.29 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.01 2.473 . . . . 0.0 113.521 -178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 128.89 57.24 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.84 0 CA-C-N 113.728 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.41 HG11 ' OG1' ' G' ' 12' ' ' THR . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t -148.32 118.94 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -67.91 -28.56 35.71 Favored 'Trans proline' 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 171.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.426 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -87.46 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.889 0 O-C-N 121.711 -0.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.472 HG23 HG22 ' D' ' 14' ' ' VAL . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.468 HG12 HG23 ' D' ' 12' ' ' THR . 5.0 m -150.72 146.36 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -97.97 47.13 0.09 OUTLIER 'Trans proline' 0 CA--C 1.499 -1.238 0 CA-C-N 123.703 2.358 . . . . 0.0 110.615 160.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t -70.02 -48.8 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 118.239 -2.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.18 102.05 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -58.96 -34.79 99.27 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.468 HG23 HG12 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.472 HG22 HG23 ' C' ' 7' ' ' VAL . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.98 126.9 72.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.258 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -140.66 120.97 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -79.33 -17.8 11.36 Favored 'Trans proline' 0 CA--C 1.556 1.582 0 C-N-CA 124.919 3.746 . . . . 0.0 119.29 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.81 108.12 3.17 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.215 0 O-C-N 117.724 -3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 3' ' ' VAL . . . . . 0.413 HG22 HG13 ' G' ' 18' ' ' VAL . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 5' ' ' VAL . . . . . 0.524 HG13 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -134.81 118.0 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -79.25 0.54 9.93 Favored 'Trans proline' 0 CA--C 1.591 3.353 0 CA-C-N 127.022 3.544 . . . . 0.0 118.091 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.04 100.56 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.287 0 CA-C-N 112.225 -2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -138.02 116.19 13.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -102.7 46.1 0.04 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.063 1 C-N-CA 126.106 4.537 . . . . 0.0 107.678 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 12' ' ' THR . . . . . 0.41 ' OG1' HG11 ' B' ' 1' ' ' VAL . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.524 HG22 HG13 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.413 HG13 HG22 ' F' ' 3' ' ' VAL . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m -74.49 -32.23 29.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 114.212 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.1 150.15 21.49 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -103.22 54.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.381 2.281 0 CA-C-N 125.702 3.072 . . . . 0.0 107.679 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t -82.53 -73.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.434 HG11 HG21 ' E' ' 9' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 HG22 ' B' ' 18' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 HG21 ' E' ' 18' ' ' VAL . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 12' ' ' THR . 9.9 p -142.05 144.53 25.16 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DPR . . . . . 0.405 ' HD2' HG22 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -107.11 41.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 124.679 3.586 . . . . 0.0 110.128 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -125.05 111.79 29.19 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 117.792 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.414 HG23 HG22 ' C' ' 14' ' ' VAL . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.564 HG11 HG21 ' F' ' 20' ' ' VAL 0.293 26.6 t -136.68 123.17 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -52.84 -18.48 9.23 Favored 'Trans proline' 0 C--N 1.282 -2.929 1 C-N-CA 125.811 4.341 . . . . 0.0 118.432 167.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 3' ' ' VAL . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t -85.49 -65.83 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 127.928 3.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.579 HG22 HG13 ' D' ' 18' ' ' VAL . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.425 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.489 HG12 HG23 ' D' ' 12' ' ' THR . 31.0 m -140.9 154.96 21.62 Favored 'Isoleucine or valine' 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo -108.58 62.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.371 1.762 1 C-N-CA 125.74 4.293 . . . . 0.0 107.21 169.254 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' VAL . . . . . 0.414 HG22 HG23 ' B' ' 7' ' ' VAL . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -99.07 -76.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.04 0 CA-C-N 119.36 0.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.33 105.98 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.88 -10.51 23.0 Favored 'Trans proline' 0 N--CA 1.405 -3.714 1 C-N-CA 127.645 5.563 . . . . 0.0 117.419 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 12' ' ' THR . . . . . 0.489 HG23 HG12 ' C' ' 9' ' ' VAL . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' VAL . . . . . 0.425 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.579 HG13 HG22 ' C' ' 3' ' ' VAL 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t -127.8 139.95 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 117.363 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 1' ' ' VAL . 51.3 t -140.39 129.33 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -92.14 20.71 0.8 Allowed 'Trans proline' 1 N--CA 1.554 5.067 1 C-N-CA 126.297 4.664 . . . . 0.0 114.386 177.186 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.419 HG21 HG11 ' A' ' 7' ' ' VAL . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t -53.36 122.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 5' ' ' VAL . . . . . 0.589 HG22 HG13 ' G' ' 16' ' ' VAL . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.87 115.5 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -79.77 5.07 6.17 Favored 'Trans proline' 0 CA--C 1.583 2.932 0 C-N-CA 121.791 1.661 . . . . 0.0 112.849 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 20' ' ' VAL . . . . . 0.564 HG21 HG11 ' B' ' 9' ' ' VAL . 14.1 t -124.02 105.81 16.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.266 0 O-C-N 120.808 -1.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 1' ' ' VAL . . . . . 0.715 HG22 HG13 ' H' ' 20' ' ' VAL 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.409 HG22 HG22 ' H' ' 18' ' ' VAL . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 9' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' G' ' 10' ' ' DPR . 74.7 t -125.76 127.88 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 10' ' ' DPR . . . . . 0.413 ' C ' ' O ' ' G' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -105.16 35.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 16' ' ' VAL . . . . . 0.589 HG13 HG22 ' F' ' 5' ' ' VAL . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -100.51 6.96 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.27 135.96 60.67 Favored 'Isoleucine or valine' 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 11' ' ' PRO . . . . . 0.401 ' HG2' HG23 ' H' ' 12' ' ' THR . 8.2 Cg_endo -95.61 7.75 1.87 Allowed 'Trans proline' 0 CA--C 1.494 -1.524 0 O-C-N 126.009 2.584 . . . . 0.0 115.69 178.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 12' ' ' THR . . . . . 0.401 HG23 ' HG2' ' H' ' 11' ' ' PRO . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.409 HG22 HG22 ' G' ' 3' ' ' VAL . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.715 HG13 HG22 ' G' ' 1' ' ' VAL 0.319 7.5 t -101.07 -55.84 5.65 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.775 0 CA-C-N 113.254 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG13 HG22 ' B' ' 16' ' ' VAL . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.69 131.08 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -110.4 35.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.275 -3.292 0 C-N-CA 124.682 3.588 . . . . 0.0 106.586 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.55 105.5 18.47 Favored 'Isoleucine or valine' 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.575 0 O-C-N 117.096 -3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t -119.78 107.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -76.46 -20.34 14.16 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 O-C-N 115.478 -2.959 . . . . 0.0 113.668 -169.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 5' ' ' VAL . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.77 -65.25 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.137 0 CA-C-N 115.147 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.544 HG13 HG22 ' D' ' 18' ' ' VAL . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.449 HG22 HG13 ' D' ' 16' ' ' VAL . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -157.67 146.41 9.94 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -107.24 84.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 165.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -94.14 -63.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.072 1 O-C-N 116.265 -4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.36 99.38 3.9 Favored 'Isoleucine or valine' 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' DPR . . . . . 0.441 ' HA ' ' HD3' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 10' ' ' DPR . 32.5 Cg_exo -69.75 -22.57 31.93 Favored 'Trans proline' 0 C--N 1.394 2.951 1 C-N-CA 127.924 5.75 . . . . 0.0 112.924 -173.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' VAL . . . . . 0.449 HG13 HG22 ' C' ' 5' ' ' VAL . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.544 HG22 HG13 ' C' ' 3' ' ' VAL . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t -131.46 140.23 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.065 0 O-C-N 120.426 -1.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.95 110.44 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -90.63 -6.61 4.24 Favored 'Trans proline' 0 C--N 1.401 3.325 0 O-C-N 124.142 1.601 . . . . 0.0 110.524 -169.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.47 121.74 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.391 2.38 0 CA-C-N 114.443 -1.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.34 122.55 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -105.07 20.71 0.12 Allowed 'Trans proline' 0 C--O 1.255 1.355 0 CA-C-N 128.004 3.894 . . . . 0.0 111.028 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.43 103.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 118.495 -2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 1' ' ' VAL . . . . . 0.474 HG22 HG22 ' H' ' 20' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 7' ' ' VAL . . . . . 0.41 ' HB ' HG13 ' H' ' 14' ' ' VAL . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.84 99.44 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -90.23 14.65 2.03 Favored 'Trans proline' 0 C--N 1.297 -2.163 1 C-N-CA 126.525 4.817 . . . . 0.0 109.707 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.16 67.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.421 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -143.03 138.7 27.24 Favored 'Isoleucine or valine' 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -100.46 35.62 0.08 OUTLIER 'Trans proline' 0 C--O 1.287 2.969 0 CA-C-N 121.092 1.426 . . . . 0.0 109.961 -173.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 14' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' G' ' 7' ' ' VAL . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 20' ' ' VAL . . . . . 0.474 HG22 HG22 ' G' ' 1' ' ' VAL . 8.3 t -112.34 -81.95 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.785 0 O-C-N 117.093 -3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 N--CA 1.43 -2.236 0 N-CA-C 105.94 -2.369 . . . . 0.0 105.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t . . . . . 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.421 HG22 HG13 ' C' ' 18' ' ' VAL . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.505 HG21 HG11 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.406 HG13 ' O ' ' C' ' 11' ' ' PRO . 56.1 t . . . . . 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo . . . . . 0 N--CA 1.482 0.798 0 N-CA-C 119.572 2.874 . . . . 0.0 119.572 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.505 HG22 HG23 ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 18' ' ' VAL . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . 0.406 ' O ' HG13 ' B' ' 9' ' ' VAL . 71.8 Cg_endo . . . . . 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . 0.441 HG12 HG23 ' C' ' 18' ' ' VAL . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.441 HG23 HG12 ' C' ' 16' ' ' VAL . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 1 N--CA 1.386 -4.841 0 CA-C-O 113.78 -2.675 . . . . 0.0 115.567 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 3' ' ' VAL . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 115.258 1.215 . . . . 0.0 115.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.505 HG11 HG21 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . 0.41 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . 0.484 HG13 HG22 ' G' ' 16' ' ' VAL . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . 0.41 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.597 3.67 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.405 HG21 HG11 ' B' ' 7' ' ' VAL . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . 0.611 HG22 HG22 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.426 HG22 HG13 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo . . . . . 0 C--O 1.263 1.769 0 N-CA-C 112.828 0.28 . . . . 0.0 112.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.484 HG22 HG13 ' F' ' 5' ' ' VAL . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . 0.437 HG22 ' H ' ' G' ' 20' ' ' VAL . 24.1 m . . . . . 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . 0.401 ' H ' ' HB ' ' H' ' 18' ' ' VAL 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 CA--C 1.586 3.092 0 N-CA-C 118.151 2.327 . . . . 0.0 118.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.426 HG13 HG22 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.611 HG22 HG22 ' G' ' 1' ' ' VAL . 71.5 t . . . . . 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HB ' HG13 ' B' ' 14' ' ' VAL . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.504 2.141 0 CA-C-O 117.935 -0.944 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.409 HG13 ' O ' ' C' ' 19' ' ' LYS . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.511 HG13 HG22 ' C' ' 18' ' ' VAL . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.477 -2.366 0 CA-C-O 116.083 -1.715 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 7' ' ' VAL . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t . . . . . 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.456 HG22 HG13 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.551 HG23 HG22 ' D' ' 14' ' ' VAL . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 N--CA 1.438 -1.777 0 CA-C-O 113.63 -2.737 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.511 HG22 HG13 ' B' ' 3' ' ' VAL . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.409 ' O ' HG13 ' B' ' 1' ' ' VAL . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.553 1.446 0 CA-C-O 115.556 -1.935 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.551 HG22 HG23 ' C' ' 7' ' ' VAL . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.456 HG13 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . 0.418 HG13 HG22 ' F' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.586 HG22 HG13 ' F' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' F' ' 12' ' ' THR . 46.8 t . . . . . 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 C--O 1.281 2.662 0 N-CA-C 118.639 2.515 . . . . 0.0 118.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . 0.508 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo . . . . . 0 N--CA 1.431 -2.181 0 CA-C-O 117.616 -1.077 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . 0.504 ' HA ' HG22 ' E' ' 9' ' ' VAL . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . 0.586 HG13 HG22 ' E' ' 5' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.418 HG22 HG13 ' E' ' 1' ' ' VAL . 58.1 t . . . . . 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.662 HG22 HG22 ' H' ' 18' ' ' VAL . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo . . . . . 0 N--CA 1.515 2.786 0 CA-C-O 126.37 2.571 . . . . 0.0 117.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.411 HG12 HG13 ' G' ' 20' ' ' VAL . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . 0.411 HG13 HG12 ' G' ' 18' ' ' VAL . 4.2 m . . . . . 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.662 HG22 HG22 ' G' ' 3' ' ' VAL . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t . . . . . 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG11 HG11 ' E' ' 18' ' ' VAL . 9.1 p . . . . . 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.505 -0.973 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 5' ' ' VAL . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.421 HG23 HG12 ' B' ' 3' ' ' VAL . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo . . . . . 0 N--CA 1.441 -1.597 0 N-CA-C 118.408 2.426 . . . . 0.0 118.408 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG21 HG22 ' F' ' 16' ' ' VAL . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.416 HG22 HG13 ' D' ' 18' ' ' VAL . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.469 HG13 HG22 ' D' ' 16' ' ' VAL . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.421 HG23 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo . . . . . 0 CA--C 1.491 -1.633 0 N-CA-C 106.529 -2.143 . . . . 0.0 106.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' C' ' 13' ' ' LYS . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . 0.412 ' N ' HG22 ' C' ' 12' ' ' THR 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t . . . . . 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo . . . . . 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.421 HG22 HG23 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 5' ' ' VAL . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' C' ' 3' ' ' VAL . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . 0.452 HG23 HG22 ' F' ' 14' ' ' VAL 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 CA--C 1.509 -0.764 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 9' ' ' VAL . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo . . . . . 0 CA--C 1.563 1.964 0 CA-C-O 117.396 -1.168 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . 0.452 HG22 HG23 ' E' ' 7' ' ' VAL . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . 0.411 HG22 HG21 ' B' ' 16' ' ' VAL . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.452 HG13 HG22 ' H' ' 18' ' ' VAL . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t . . . . . 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--O 1.245 0.831 0 CA-C-O 117.245 -1.231 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m . . . . . 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.452 HG22 HG13 ' G' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 CA--C 1.484 -2.021 0 N-CA-C 107.298 -1.847 . . . . 0.0 107.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' F' ' 3' ' ' VAL . 61.8 t . . . . . 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo . . . . . 0 CA--C 1.464 -2.98 0 CA-C-O 115.296 -2.043 . . . . 0.0 113.687 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.459 HG22 HG13 ' D' ' 18' ' ' VAL . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.441 HG11 HG11 ' G' ' 3' ' ' VAL . 4.2 m . . . . . 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.517 2.872 0 N-CA-C 114.868 1.065 . . . . 0.0 114.868 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 N--CA 1.428 -2.332 0 N-CA-C 119.176 2.721 . . . . 0.0 119.176 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.403 HG23 HG12 ' C' ' 9' ' ' VAL . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 3' ' ' VAL 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 CA--C 1.486 -1.899 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' B' ' 9' ' ' VAL . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . 0.497 HG23 HG22 ' G' ' 14' ' ' VAL . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 112.831 0.281 . . . . 0.0 112.831 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.441 HG11 HG11 ' C' ' 9' ' ' VAL . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 1 CA--C 1.442 -4.124 0 N-CA-C 117.024 1.894 . . . . 0.0 117.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . 0.497 HG22 HG23 ' F' ' 7' ' ' VAL . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 CA--C 1.502 -1.111 0 N-CA-C 113.098 0.384 . . . . 0.0 113.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 1' ' ' VAL 0.263 23.2 t . . . . . 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 N--CA 1.504 2.13 0 CA-C-O 122.026 0.761 . . . . 0.0 113.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.515 HG13 HG22 ' C' ' 16' ' ' VAL . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.491 -1.637 0 N-CA-C 116.688 1.765 . . . . 0.0 116.688 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 CA--C 1.514 -0.483 0 CA-C-O 123.639 1.433 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . 0.515 HG22 HG13 ' B' ' 5' ' ' VAL . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t . . . . . 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.247 0.933 0 N-CA-C 119.302 2.77 . . . . 0.0 119.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo . . . . . 0 N--CA 1.427 -2.422 0 CA-C-O 122.599 0.999 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t . . . . . 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.267 1.939 0 CA-C-O 117.315 -1.202 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo . . . . . 0 C--O 1.234 0.285 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . 0.438 HG23 ' H ' ' H' ' 3' ' ' VAL . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' H' ' 4' ' ' LYS . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . 0.425 HG22 ' H ' ' H' ' 8' ' ' LYS . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . 0.425 ' H ' HG22 ' H' ' 7' ' ' VAL . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t . . . . . 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 HG11 ' E' ' 5' ' ' VAL . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.436 -1.911 0 CA-C-O 122.842 1.101 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 HG22 ' E' ' 18' ' ' VAL . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.481 0.764 0 N-CA-C 115.103 1.155 . . . . 0.0 115.103 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.555 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.421 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.488 HG22 HG13 ' D' ' 16' ' ' VAL . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo . . . . . 0 CA--C 1.499 -1.241 0 N-CA-C 108.65 -1.327 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 C--O 1.264 1.798 0 N-CA-C 116.863 1.832 . . . . 0.0 116.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.488 HG13 HG22 ' C' ' 5' ' ' VAL . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.421 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.426 HG11 HG21 ' A' ' 5' ' ' VAL . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 CA--C 1.576 2.59 0 N-CA-C 105.979 -2.354 . . . . 0.0 105.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.428 HG22 HG21 ' A' ' 14' ' ' VAL . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo . . . . . 0 C--O 1.211 -0.84 0 N-CA-C 109.292 -1.08 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.423 -2.651 0 N-CA-C 106.407 -2.189 . . . . 0.0 106.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.422 -2.688 0 CA-C-O 115.854 -1.811 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.251 1.138 0 N-CA-C 106.121 -2.3 . . . . 0.0 106.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t . . . . . 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.433 HG12 HG13 ' F' ' 9' ' ' VAL . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.436 HG21 HG22 ' F' ' 9' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 N--CA 1.495 1.617 0 N-CA-C 116.575 1.721 . . . . 0.0 116.575 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.444 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.436 HG21 HG13 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' C' ' 17' ' ' LYS . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.556 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' D' ' 12' ' ' THR . 34.1 m . . . . . 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo . . . . . 0 C--O 1.204 -1.182 0 N-CA-C 106.766 -2.052 . . . . 0.0 106.766 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.556 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 18' ' ' VAL . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' C' ' 4' ' ' LYS . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 16' ' ' VAL . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 N-CA-C 113.826 0.664 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.548 HG23 HG12 ' C' ' 9' ' ' VAL 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . 0.421 HG13 HG22 ' F' ' 20' ' ' VAL . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo . . . . . 1 N--CA 1.394 -4.327 0 CA-C-O 117.037 -1.318 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 7' ' ' VAL . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.504 HG22 HG13 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . 0.436 HG22 HG21 ' B' ' 3' ' ' VAL . 65.0 t . . . . . 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo . . . . . 0 CA--C 1.489 -1.766 0 N-CA-C 108.573 -1.357 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.421 HG22 HG13 ' E' ' 1' ' ' VAL . 80.2 t . . . . . 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.422 HG21 HG21 ' C' ' 9' ' ' VAL . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . 0.436 HG13 HG21 ' C' ' 3' ' ' VAL . 5.0 t . . . . . 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 CA--C 1.488 -1.815 0 N-CA-C 104.402 -2.961 . . . . 0.0 104.402 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.504 HG13 HG22 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 CA--C 1.468 -2.785 0 CA-C-O 117.424 -1.157 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 12' ' ' THR . 2.9 p . . . . . 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.43 -2.23 0 CA-C-O 118.433 -0.736 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 19' ' ' LYS . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.481 HG22 HG13 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 CA--C 1.56 1.798 0 CA-C-O 116.688 -1.463 . . . . 0.0 115.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . 0.466 HG13 HG22 ' D' ' 20' ' ' VAL . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.438 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.51 HG21 HG13 ' G' ' 9' ' ' VAL . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.615 HG22 HG13 ' D' ' 16' ' ' VAL . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' D' ' 12' ' ' THR 0.287 1.7 m . . . . . 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.481 HG13 HG22 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.579 HG23 HG12 ' C' ' 9' ' ' VAL . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.536 HG11 HG21 ' H' ' 16' ' ' VAL 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.615 HG13 HG22 ' C' ' 5' ' ' VAL . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.422 HG13 HG22 ' C' ' 3' ' ' VAL . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.438 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.466 HG22 HG13 ' C' ' 1' ' ' VAL . 74.5 t . . . . . 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 N-CA-C 104.6 -2.885 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t . . . . . 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 14' ' ' VAL . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo . . . . . 0 CA--C 1.456 -3.408 0 N-CA-C 118.264 2.371 . . . . 0.0 118.264 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . 0.509 HG22 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . 0.509 HG23 HG22 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.554 HG22 HG13 ' H' ' 18' ' ' VAL . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . 0.428 ' HE2' ' HD3' ' H' ' 15' ' ' LYS . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . 0.577 HG23 HG22 ' H' ' 14' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . 0.51 HG13 HG21 ' C' ' 3' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 C--O 1.274 2.323 0 N-CA-C 113.812 0.658 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' F' ' 7' ' ' VAL . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.452 -3.621 0 N-CA-C 115.912 1.466 . . . . 0.0 115.912 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . 0.577 HG22 HG23 ' G' ' 7' ' ' VAL . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' HE2' ' G' ' 6' ' ' LYS . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . 0.536 HG21 HG11 ' D' ' 14' ' ' VAL . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.554 HG13 HG22 ' G' ' 3' ' ' VAL . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 N--CA 1.4 -3.995 0 N-CA-C 115.368 1.257 . . . . 0.0 115.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 18' ' ' VAL . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.587 HG13 HG11 ' F' ' 1' ' ' VAL . 53.1 t . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 N--CA 1.51 2.482 0 N-CA-C 116.197 1.576 . . . . 0.0 116.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.532 HG23 HG22 ' D' ' 14' ' ' VAL . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.277 2.445 0 CA-C-O 113.317 -2.868 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 3' ' ' VAL . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.246 0.878 0 CA-C-O 119.215 -0.411 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 HG23 ' C' ' 7' ' ' VAL . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo . . . . . 0 N--CA 1.484 0.948 0 N-CA-C 110.543 -0.599 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . 0.587 HG11 HG13 ' B' ' 9' ' ' VAL . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . 0.435 HG13 HG22 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . 0.404 HG21 HG11 ' B' ' 3' ' ' VAL . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.401 -3.959 0 CA-C-O 117.559 -1.1 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t . . . . . 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 CA--C 1.577 2.65 0 N-CA-C 102.938 -3.524 . . . . 0.0 102.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.435 HG22 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.483 0.866 0 CA-C-O 115.836 -1.818 . . . . 0.0 115.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t . . . . . 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.596 HG21 HG21 ' E' ' 7' ' ' VAL . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.456 -0.72 0 CA-C-O 116.309 -1.621 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.42 HG23 HG22 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 12' ' ' THR . 24.6 t . . . . . 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo . . . . . 0 N--CA 1.501 1.926 0 CA-C-O 126.709 2.712 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.507 2.29 0 CA-C-O 116.448 -1.563 . . . . 0.0 115.635 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.479 HG23 HG22 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.42 HG22 HG23 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.237 0.437 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.682 HG13 HG22 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 3' ' ' VAL . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.464 -2.997 0 CA-C-O 118.795 -0.585 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.526 3.439 0 N-CA-C 108.271 -1.473 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' H' ' 14' ' ' VAL . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.403 -3.836 0 CA-C-O 115.917 -1.784 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 N--CA 1.486 1.068 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' G' ' 7' ' ' VAL . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.444 HG21 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HB ' HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.495 -1.447 0 N-CA-C 106.26 -2.246 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.417 HG22 HG23 ' C' ' 12' ' ' THR . 99.0 t . . . . . 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 N--CA 1.515 2.778 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 7' ' ' VAL . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.524 HG23 HG22 ' D' ' 14' ' ' VAL 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo . . . . . 0 N--CA 1.442 -1.501 0 N-CA-C 105.606 -2.498 . . . . 0.0 105.606 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.417 HG23 HG22 ' B' ' 9' ' ' VAL . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.524 HG22 HG23 ' C' ' 7' ' ' VAL . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 N--CA 1.435 -1.917 0 N-CA-C 116.017 1.507 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.472 HG13 HG22 ' G' ' 18' ' ' VAL . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . 0.453 HG22 HG13 ' G' ' 16' ' ' VAL . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . 0.406 HG23 HG22 ' G' ' 14' ' ' VAL . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo . . . . . 0 N--CA 1.428 -2.357 0 CA-C-O 128.67 3.529 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' H' ' 20' ' ' VAL . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.7 HG22 HG13 ' H' ' 18' ' ' VAL . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo . . . . . 0 CA--C 1.555 1.538 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . 0.406 HG22 HG23 ' F' ' 7' ' ' VAL . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.453 HG13 HG22 ' F' ' 5' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.472 HG22 HG13 ' F' ' 3' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.497 -1.346 0 N-CA-C 109.111 -1.15 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.7 HG13 HG22 ' G' ' 3' ' ' VAL . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.543 ' HA ' HG22 ' G' ' 1' ' ' VAL . 41.5 t . . . . . 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 HG11 HG21 ' E' ' 5' ' ' VAL . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.401 HG11 HG21 ' E' ' 18' ' ' VAL . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' E' ' 1' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.456 -0.733 0 N-CA-C 110.357 -0.671 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG13 HG11 ' E' ' 14' ' ' VAL . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.445 HG22 HG13 ' C' ' 16' ' ' VAL 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.402 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t . . . . . 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.537 0.626 0 N-CA-C 115.874 1.452 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 HG21 ' F' ' 9' ' ' VAL . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.569 HG22 HG22 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 HG11 ' G' ' 18' ' ' VAL . 3.0 m . . . . . 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo . . . . . 1 CA--C 1.612 4.381 0 N-CA-C 113.147 0.403 . . . . 0.0 113.147 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . 0.445 HG13 HG22 ' B' ' 5' ' ' VAL . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo . . . . . 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.569 HG22 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 5' ' ' VAL . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 CA--C 1.462 -3.103 0 N-CA-C 109.449 -1.02 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . 0.444 HG11 HG13 ' A' ' 18' ' ' VAL . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.401 HG21 HG11 ' A' ' 7' ' ' VAL . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . 0.443 HG21 HG11 ' B' ' 18' ' ' VAL . 48.6 t . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo . . . . . 0 CA--C 1.516 -0.409 0 CA-C-O 117.273 -1.22 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' F' ' 13' ' ' LYS . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t . . . . . 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 CA--C 1.576 2.601 0 N-CA-C 107.98 -1.585 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.438 HG12 HG23 ' G' ' 18' ' ' VAL . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 HG23 ' C' ' 9' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.53 HG12 HG23 ' H' ' 20' ' ' VAL . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.53 HG23 HG12 ' H' ' 18' ' ' VAL . 41.1 t . . . . . 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.434 -2.028 0 CA-C-O 121.65 0.604 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo . . . . . 0 CA--C 1.549 1.238 0 CA-C-O 126.691 2.704 . . . . 0.0 117.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.409 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' D' ' 12' ' ' THR . 2.5 m . . . . . 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.436 -1.865 0 CA-C-O 122.978 1.157 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t . . . . . 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 20' ' ' VAL 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.19 -1.92 0 CA-C-O 116.462 -1.558 . . . . 0.0 114.699 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.464 HG23 ' CG1' ' C' ' 9' ' ' VAL . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.508 HG21 HG11 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 1' ' ' VAL 0.254 45.8 t . . . . . 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 CA--C 1.48 -2.201 0 CA-C-O 125.309 2.129 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo . . . . . 0 CA--C 1.545 1.072 0 CA-C-O 115.068 -2.138 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . 0.409 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t . . . . . 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.418 -2.92 0 N-CA-C 107.769 -1.666 . . . . 0.0 107.769 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . 0.508 HG11 HG21 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 15' ' ' LYS . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.461 ' N ' HG12 ' A' ' 14' ' ' VAL 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 HG13 ' C' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo . . . . . 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t . . . . . 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.457 HG22 HG22 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.412 -3.32 0 CA-C-O 122.806 1.086 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 1' ' ' VAL . 88.2 t . . . . . 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo . . . . . 0 C--O 1.26 1.616 0 N-CA-C 115.709 1.388 . . . . 0.0 115.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.457 HG22 HG22 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo . . . . . 0 C--O 1.211 -0.831 0 CA-C-O 117.842 -0.982 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.475 HG13 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 CA--C 1.562 1.886 0 CA-C-O 118.469 -0.721 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . 0.431 HG23 HG22 ' H' ' 14' ' ' VAL . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo . . . . . 0 C--O 1.288 2.985 0 CA-C-O 117.349 -1.188 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.475 HG22 HG13 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 N--CA 1.448 -1.163 0 N-CA-C 105.707 -2.459 . . . . 0.0 105.707 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . 0.431 HG22 HG23 ' G' ' 7' ' ' VAL . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p . . . . . 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' E' ' 20' ' ' VAL . 89.9 Cg_endo . . . . . 0 C--O 1.264 1.793 0 CA-C-O 116.276 -1.635 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.426 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.457 HG22 HG13 ' C' ' 20' ' ' VAL 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t . . . . . 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 N--CA 1.407 -3.587 0 N-CA-C 116.431 1.666 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.412 HG23 HG22 ' D' ' 14' ' ' VAL . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.487 HG11 HG11 ' G' ' 3' ' ' VAL . 17.7 m . . . . . 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.511 -0.659 0 N-CA-C 107.731 -1.68 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 1' ' ' VAL 0.291 29.3 t . . . . . 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.529 3.589 0 N-CA-C 117.98 2.262 . . . . 0.0 117.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.412 HG22 HG23 ' C' ' 7' ' ' VAL . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.571 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . 0.645 HG23 HG22 ' F' ' 14' ' ' VAL . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 N--CA 1.402 -3.864 0 N-CA-C 108.966 -1.205 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 11' ' ' PRO 0.275 38.2 t . . . . . 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo . . . . . 0 CA--C 1.485 -1.939 0 CA-C-O 121.911 0.713 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . 0.645 HG22 HG23 ' E' ' 7' ' ' VAL . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . 0.571 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.487 HG11 HG11 ' C' ' 9' ' ' VAL . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 CA-C-O 117.006 -1.331 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.461 -3.172 0 CA-C-O 118.766 -0.597 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 HG22 ' B' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p . . . . . 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 CA--C 1.537 0.645 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 HG21 ' E' ' 12' ' ' THR 0.316 32.0 t . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.438 -1.794 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 1' ' ' VAL 0.281 22.5 t . . . . . 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.461 HG23 HG22 ' D' ' 14' ' ' VAL . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.419 HG11 HG11 ' G' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 N--CA 1.419 -2.873 0 CA-C-O 120.71 0.213 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo . . . . . 0 CA--C 1.486 -1.881 0 N-CA-C 114.533 0.936 . . . . 0.0 114.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.461 HG22 HG23 ' C' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' F' ' 20' ' ' VAL . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.477 HG22 HG13 ' F' ' 18' ' ' VAL . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . 0.473 HG22 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . 0.425 HG23 HG22 ' F' ' 12' ' ' THR . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo . . . . . 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t . . . . . 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo . . . . . 0 N--CA 1.451 -1.028 0 CA-C-O 116.195 -1.669 . . . . 0.0 112.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . 0.425 HG22 HG23 ' E' ' 7' ' ' VAL . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . 0.473 HG13 HG22 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.477 HG13 HG22 ' E' ' 3' ' ' VAL . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' E' ' 1' ' ' VAL . 75.3 t . . . . . 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 9' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.448 -1.174 0 N-CA-C 116.519 1.699 . . . . 0.0 116.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . 0.478 HG22 ' N ' ' H' ' 8' ' ' LYS . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . 0.478 ' N ' HG22 ' H' ' 7' ' ' VAL . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.423 -2.619 0 CA-C-O 114.733 -2.278 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 HG22 ' B' ' 16' ' ' VAL . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 HG22 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 N--CA 1.406 -3.637 0 CA-C-O 123.171 1.238 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.543 HG22 HG13 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 N--CA 1.422 -2.69 0 N-CA-C 116.418 1.661 . . . . 0.0 116.418 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 5' ' ' VAL . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.633 HG21 HG13 ' G' ' 9' ' ' VAL . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 1 N--CA 1.383 -5.019 0 CA-C-O 120.608 0.17 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.543 HG13 HG22 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo . . . . . 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . 0.433 HG22 HG22 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 N--CA 1.444 -1.392 0 CA-C-O 121.919 0.716 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.582 2.894 0 CA-C-O 121.516 0.548 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.433 HG22 HG22 ' E' ' 1' ' ' VAL . 26.2 t . . . . . 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.506 HG22 HG22 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . 0.633 HG13 HG21 ' C' ' 3' ' ' VAL . 4.9 t . . . . . 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo . . . . . 0 CA--C 1.596 3.624 0 N-CA-C 107.314 -1.841 . . . . 0.0 107.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo . . . . . 0 C--O 1.189 -1.938 0 N-CA-C 103.559 -3.285 . . . . 0.0 103.559 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.506 HG22 HG22 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.496 -1.42 0 CA-C-O 118.147 -0.855 . . . . 0.0 113.521 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.41 HG11 ' OG1' ' G' ' 12' ' ' THR . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.426 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.472 HG23 HG22 ' D' ' 14' ' ' VAL . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.468 HG12 HG23 ' D' ' 12' ' ' THR . 5.0 m . . . . . 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo . . . . . 0 CA--C 1.499 -1.238 0 CA-C-O 123.113 1.214 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo . . . . . 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.468 HG23 HG12 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.472 HG22 HG23 ' C' ' 7' ' ' VAL . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 CA--C 1.556 1.582 0 N-CA-C 119.29 2.765 . . . . 0.0 119.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . 0.413 HG22 HG13 ' G' ' 18' ' ' VAL . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . 0.524 HG13 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.591 3.353 0 N-CA-C 118.091 2.304 . . . . 0.0 118.091 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -3.063 0 N-CA-C 107.678 -1.701 . . . . 0.0 107.678 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . 0.41 ' OG1' HG11 ' B' ' 1' ' ' VAL . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.524 HG22 HG13 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.413 HG13 HG22 ' F' ' 3' ' ' VAL . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 C--O 1.258 1.489 0 N-CA-C 107.679 -1.7 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t . . . . . 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.434 HG11 HG21 ' E' ' 9' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 HG22 ' B' ' 18' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 HG21 ' E' ' 18' ' ' VAL . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 12' ' ' THR . 9.9 p . . . . . 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.502 2.012 0 CA-C-O 118.195 -0.835 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.414 HG23 HG22 ' C' ' 14' ' ' VAL . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.564 HG11 HG21 ' F' ' 20' ' ' VAL 0.293 26.6 t . . . . . 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 N-CA-C 118.432 2.436 . . . . 0.0 118.432 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 3' ' ' VAL . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t . . . . . 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.579 HG22 HG13 ' D' ' 18' ' ' VAL . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.425 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.489 HG12 HG23 ' D' ' 12' ' ' THR . 31.0 m . . . . . 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo . . . . . 0 C--O 1.253 1.273 0 N-CA-C 107.21 -1.881 . . . . 0.0 107.21 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . 0.414 HG22 HG23 ' B' ' 7' ' ' VAL . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo . . . . . 0 N--CA 1.405 -3.714 0 N-CA-C 117.419 2.046 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . 0.489 HG23 HG12 ' C' ' 9' ' ' VAL . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . 0.425 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.579 HG13 HG22 ' C' ' 3' ' ' VAL 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t . . . . . 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 2 1 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 1' ' ' VAL . 51.3 t . . . . . 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 1 N--CA 1.554 5.067 0 N-CA-C 114.386 0.879 . . . . 0.0 114.386 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.419 HG21 HG11 ' A' ' 7' ' ' VAL . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t . . . . . 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . 0.589 HG22 HG13 ' G' ' 16' ' ' VAL . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.583 2.932 0 CA-C-O 119.243 -0.399 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . 0.564 HG21 HG11 ' B' ' 9' ' ' VAL . 14.1 t . . . . . 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . 0.715 HG22 HG13 ' H' ' 20' ' ' VAL 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.409 HG22 HG22 ' H' ' 18' ' ' VAL . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . 0.589 HG13 HG22 ' F' ' 5' ' ' VAL . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . 0.401 ' HG2' HG23 ' H' ' 12' ' ' THR . 8.2 Cg_endo . . . . . 0 CA--C 1.494 -1.524 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . 0.401 HG23 ' HG2' ' H' ' 11' ' ' PRO . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.409 HG22 HG22 ' G' ' 3' ' ' VAL . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.715 HG13 HG22 ' G' ' 1' ' ' VAL 0.319 7.5 t . . . . . 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG13 HG22 ' B' ' 16' ' ' VAL . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 114.484 -2.382 . . . . 0.0 106.586 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.441 -1.588 0 CA-C-O 124.612 1.838 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 5' ' ' VAL . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.544 HG13 HG22 ' D' ' 18' ' ' VAL . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.449 HG22 HG13 ' D' ' 16' ' ' VAL . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t . . . . . 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.496 1.631 0 CA-C-O 117.007 -1.33 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' VAL . . . . . 0.449 HG13 HG22 ' C' ' 5' ' ' VAL . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.544 HG22 HG13 ' C' ' 3' ' ' VAL . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.493 -1.538 0 N-CA-C 110.524 -0.606 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 C--O 1.255 1.355 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 1' ' ' VAL . . . . . 0.474 HG22 HG22 ' H' ' 20' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 7' ' ' VAL . . . . . 0.41 ' HB ' HG13 ' H' ' 14' ' ' VAL . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.707 -0.92 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 C--O 1.287 2.969 0 CA-C-O 117.227 -1.239 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 14' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' G' ' 7' ' ' VAL . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 20' ' ' VAL . . . . . 0.474 HG22 HG22 ' G' ' 1' ' ' VAL . 8.3 t . . . . . 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 60.2 t . . . . . 1 N--CA 1.567 5.385 0 CA-C-O 123.107 1.432 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -117.32 107.71 14.71 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 116.589 -3.819 . . . . 0.0 109.778 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.97 115.1 48.93 Favored 'Isoleucine or valine' 0 C--N 1.4 2.79 0 O-C-N 125.366 1.666 . . . . 0.0 110.37 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -112.31 150.08 31.49 Favored 'General case' 0 CA--C 1.474 -1.966 0 C-N-CA 118.478 -1.289 . . . . 0.0 108.32 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -140.57 133.24 32.23 Favored 'Isoleucine or valine' 0 C--N 1.374 1.646 0 CA-C-O 116.08 -1.914 . . . . 0.0 108.565 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -141.19 130.86 24.1 Favored 'General case' 0 N--CA 1.407 -2.586 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 HG22 ' B' ' 14' ' ' VAL . 1.7 p -135.69 133.38 51.55 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.372 0 CA-C-O 123.949 1.833 . . . . 0.0 109.143 -170.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -121.65 108.71 13.87 Favored 'General case' 0 C--O 1.261 1.668 0 C-N-CA 127.347 2.259 . . . . 0.0 106.011 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.6 131.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 CA-C-O 116.449 -1.739 . . . . 0.0 108.85 -157.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -103.36 58.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.236 0 C-N-CA 124.413 3.409 . . . . 0.0 105.94 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 3.9 t -159.23 161.03 36.0 Favored 'General case' 0 CA--C 1.492 -1.275 0 CA-C-O 126.238 2.923 . . . . 0.0 110.803 169.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -142.19 133.27 26.04 Favored 'General case' 0 N--CA 1.521 3.109 0 CA-C-O 125.542 2.591 . . . . 0.0 112.017 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -135.0 122.3 36.76 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 1 N-CA-C 98.302 -4.703 . . . . 0.0 98.302 -162.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -115.45 157.98 23.19 Favored 'General case' 0 C--N 1.379 1.878 0 CA-C-O 113.761 -3.018 . . . . 0.0 111.96 167.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.81 155.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 1 O-C-N 129.811 4.444 . . . . 0.0 108.913 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -124.41 160.42 28.21 Favored 'General case' 0 C--N 1.411 3.266 0 CA-C-N 114.737 -1.119 . . . . 0.0 113.01 164.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -126.97 124.49 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.647 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -118.35 114.69 23.32 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 126.128 2.87 . . . . 0.0 105.925 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 ' HB ' ' HB ' ' A' ' 1' ' ' VAL . 3.4 t -108.31 131.41 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.245 0 O-C-N 119.66 -1.9 . . . . 0.0 110.119 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.85 0 O-C-N 117.281 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.52 3.03 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -121.13 138.82 54.02 Favored 'General case' 0 CA--C 1.592 2.58 0 O-C-N 116.838 -3.664 . . . . 0.0 109.497 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.421 HG22 HG13 ' C' ' 18' ' ' VAL . 99.4 t -128.99 129.07 67.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 118.992 -2.317 . . . . 0.0 112.3 -167.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -117.42 136.17 53.37 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 124.323 2.011 . . . . 0.0 106.089 169.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 t -129.09 129.88 67.98 Favored 'Isoleucine or valine' 0 C--O 1.253 1.242 0 O-C-N 119.971 -1.706 . . . . 0.0 113.593 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -133.77 126.42 30.59 Favored 'General case' 0 N--CA 1.413 -2.295 0 O-C-N 118.7 -2.5 . . . . 0.0 107.913 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.505 HG21 HG11 ' F' ' 3' ' ' VAL . 11.1 p -124.58 133.75 68.56 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.343 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' C' ' 13' ' ' LYS . 50.1 tttm -131.7 121.89 25.01 Favored 'General case' 0 N--CA 1.415 -2.198 0 N-CA-C 102.031 -3.322 . . . . 0.0 102.031 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.406 HG13 ' O ' ' C' ' 11' ' ' PRO . 56.1 t -120.09 109.72 26.77 Favored 'Isoleucine or valine' 0 C--O 1.266 1.927 1 O-C-N 116.124 -4.11 . . . . 0.0 108.858 169.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -62.65 -29.92 78.27 Favored 'Trans proline' 0 C--N 1.377 2.057 0 CA-C-N 125.197 2.892 . . . . 0.0 119.572 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -59.81 102.93 0.17 Allowed 'General case' 0 C--O 1.262 1.743 0 CA-C-O 115.131 -2.366 . . . . 0.0 113.035 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -130.33 133.46 46.45 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 126.959 3.266 . . . . 0.0 110.567 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.505 HG22 HG23 ' A' ' 7' ' ' VAL . 90.8 t -121.72 132.36 70.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.928 0 C-N-CA 128.137 2.575 . . . . 0.0 105.764 -176.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -120.6 134.44 55.28 Favored 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 123.701 1.715 . . . . 0.0 107.267 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -126.79 137.74 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.102 0 C-N-CA 128.456 2.702 . . . . 0.0 111.046 -174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -132.06 141.61 49.26 Favored 'General case' 0 C--O 1.272 2.288 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -136.83 114.14 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.904 0 CA-C-O 124.806 2.241 . . . . 0.0 105.448 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -123.43 126.59 47.06 Favored 'General case' 0 C--O 1.269 2.087 0 O-C-N 117.857 -3.027 . . . . 0.0 112.333 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -81.81 -51.29 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.354 0 C-N-CA 128.869 2.868 . . . . 0.0 111.254 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.63 0 O-C-N 118.476 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -126.63 134.7 50.69 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 115.606 -2.14 . . . . 0.0 105.887 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.406 HG22 HG22 ' D' ' 18' ' ' VAL . 61.3 t -119.99 134.9 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.052 0 CA-C-N 121.871 2.123 . . . . 0.0 109.265 174.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -125.81 125.41 42.85 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.16 122.38 66.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 127.245 2.84 . . . . 0.0 106.497 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -129.16 125.79 37.83 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.304 -2.122 . . . . 0.0 112.609 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -137.93 138.07 44.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.005 0 N-CA-C 120.401 3.482 . . . . 0.0 120.401 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -133.8 133.89 42.2 Favored 'General case' 1 CA--C 1.42 -4.054 0 O-C-N 120.841 -1.162 . . . . 0.0 108.178 168.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -148.92 145.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 103.346 -2.835 . . . . 0.0 103.346 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . 0.406 ' O ' HG13 ' B' ' 9' ' ' VAL . 71.8 Cg_endo -101.96 62.67 0.03 OUTLIER 'Trans proline' 0 C--O 1.264 1.818 0 CA-C-O 113.762 -2.683 . . . . 0.0 107.096 173.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 35.0 m -144.5 142.47 30.27 Favored 'General case' 0 N--CA 1.397 -3.091 1 O-C-N 129.254 4.097 . . . . 0.0 111.547 168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . 0.426 ' HE2' ' HD3' ' B' ' 8' ' ' LYS . 31.8 mtmt -122.49 126.29 47.55 Favored 'General case' 0 CA--C 1.479 -1.783 0 C-N-CA 126.033 1.733 . . . . 0.0 107.509 166.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.05 128.38 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 119.244 -2.16 . . . . 0.0 114.04 168.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.22 129.44 46.44 Favored 'General case' 0 CA--C 1.481 -1.708 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . 0.441 HG12 HG23 ' C' ' 18' ' ' VAL . 99.5 t -124.16 133.21 69.93 Favored 'Isoleucine or valine' 0 C--N 1.375 1.677 0 C-N-CA 125.23 1.412 . . . . 0.0 111.021 174.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -127.09 130.93 50.82 Favored 'General case' 1 N--CA 1.376 -4.14 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 175.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.441 HG23 HG12 ' C' ' 16' ' ' VAL . 93.8 t -136.91 123.49 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.151 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -102.59 124.03 47.39 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 124.933 1.293 . . . . 0.0 108.119 171.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 t -76.83 -79.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.421 -1.89 0 CA-C-O 123.486 1.613 . . . . 0.0 113.575 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 108.824 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.487 -1.444 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -123.32 126.97 47.84 Favored 'General case' 0 CA--C 1.578 2.046 0 O-C-N 116.865 -3.647 . . . . 0.0 103.071 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.297 27.2 m -127.15 117.5 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 1 O-C-N 114.769 -4.957 . . . . 0.0 117.6 -176.839 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -114.63 129.98 56.74 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -170.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -115.83 120.1 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -144.74 142.77 30.28 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 117.041 -3.537 . . . . 0.0 112.54 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -143.65 135.15 22.86 Favored 'Isoleucine or valine' 0 C--N 1.372 1.569 0 O-C-N 116.584 -3.823 . . . . 0.0 110.93 163.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -139.64 109.93 6.55 Favored 'General case' 0 C--O 1.265 1.917 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.967 -176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 t -119.75 102.29 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.431 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.036 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.59 -38.4 54.86 Favored 'Trans proline' 1 N--CA 1.386 -4.841 0 CA-C-N 127.964 3.88 . . . . 0.0 115.567 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 35.9 m -100.5 111.63 23.91 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 123.342 2.792 . . . . 0.0 110.434 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -125.44 95.21 4.38 Favored 'General case' 0 C--O 1.187 -2.222 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.83 119.65 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 119.29 -2.131 . . . . 0.0 109.687 -168.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -134.26 122.67 23.05 Favored 'General case' 0 C--O 1.18 -2.556 0 CA-C-O 125.124 2.392 . . . . 0.0 116.476 167.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.61 132.76 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.57 0 O-C-N 120.383 -1.448 . . . . 0.0 109.13 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -140.71 142.57 34.84 Favored 'General case' 0 CA--C 1.577 1.984 0 O-C-N 118.895 -2.378 . . . . 0.0 110.515 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.406 HG22 HG22 ' C' ' 3' ' ' VAL . 25.0 t -128.74 126.27 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.298 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.816 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -94.38 142.71 27.11 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 127.671 3.605 . . . . 0.0 103.077 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.87 136.98 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 118.395 -2.691 . . . . 0.0 105.666 165.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.142 0 O-C-N 118.453 -2.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.274 2.378 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -111.85 145.22 39.85 Favored 'General case' 0 N--CA 1.426 -1.659 1 N-CA-C 122.028 4.084 . . . . 0.0 122.028 171.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.83 131.09 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.17 0 O-C-N 118.488 -2.632 . . . . 0.0 106.111 167.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -134.06 131.3 38.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 116.774 -3.704 . . . . 0.0 108.702 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.56 130.89 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.525 0 C-N-CA 126.837 2.055 . . . . 0.0 108.017 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.258 78.1 tttt -134.52 119.27 18.26 Favored 'General case' 0 CA--C 1.589 2.478 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 176.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -115.56 140.46 37.07 Favored 'Isoleucine or valine' 0 C--O 1.264 1.839 0 O-C-N 118.552 -2.593 . . . . 0.0 110.038 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -130.97 119.8 22.6 Favored 'General case' 0 N--CA 1.415 -2.224 0 O-C-N 120.216 -1.553 . . . . 0.0 107.791 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 23.2 t -120.35 104.67 15.79 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 C-N-CA 125.967 1.707 . . . . 0.0 110.979 167.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.63 7.21 0.75 Allowed 'Trans proline' 0 N--CA 1.524 3.311 0 CA-C-N 122.738 2.014 . . . . 0.0 115.258 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 63.0 m -122.55 118.83 29.16 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.234 1.814 . . . . 0.0 111.473 -170.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -125.86 106.92 10.01 Favored 'General case' 0 N--CA 1.42 -1.929 0 C-N-CA 125.727 1.611 . . . . 0.0 110.664 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 76.4 t -119.55 144.96 26.5 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 O-C-N 119.135 -2.228 . . . . 0.0 108.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -128.75 149.53 50.67 Favored 'General case' 0 N--CA 1.521 3.104 0 O-C-N 123.907 0.754 . . . . 0.0 112.221 172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.09 130.92 71.22 Favored 'Isoleucine or valine' 0 C--N 1.396 2.611 0 N-CA-C 101.73 -3.433 . . . . 0.0 101.73 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -116.89 127.9 54.71 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 125.272 1.429 . . . . 0.0 114.35 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . 0.281 68.4 t -135.19 123.28 38.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.132 0 O-C-N 116.872 -3.642 . . . . 0.0 104.332 -166.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -137.49 167.02 22.46 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 124.848 2.261 . . . . 0.0 109.081 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.99 111.67 24.04 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.256 0 CA-C-O 112.582 -3.58 . . . . 0.0 105.4 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.189 0 O-C-N 125.938 2.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 1 N--CA 1.546 4.364 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -121.96 125.42 46.31 Favored 'General case' 0 N--CA 1.518 2.957 0 O-C-N 120.445 -1.409 . . . . 0.0 107.946 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.505 HG11 HG21 ' B' ' 7' ' ' VAL . 45.7 t -119.65 130.65 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.881 1 O-C-N 115.632 -4.418 . . . . 0.0 105.615 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . 0.41 ' HE2' ' HE3' ' F' ' 6' ' ' LYS . 60.9 mtpt -122.36 123.45 41.4 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . 0.484 HG13 HG22 ' G' ' 16' ' ' VAL . 3.4 t -112.95 124.08 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.322 0 O-C-N 117.93 -2.981 . . . . 0.0 110.544 165.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . 0.41 ' HE3' ' HE2' ' F' ' 4' ' ' LYS 0.262 11.0 mttt -132.79 130.82 40.38 Favored 'General case' 0 CA--C 1.464 -2.347 0 C-N-CA 118.4 -1.32 . . . . 0.0 112.226 -169.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.336 4.9 p -141.79 134.42 28.59 Favored 'Isoleucine or valine' 0 C--N 1.365 1.27 0 CA-C-O 115.583 -2.151 . . . . 0.0 112.485 -165.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -115.29 131.77 56.82 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 127.226 2.829 . . . . 0.0 110.064 168.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.99 122.16 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.626 0 N-CA-C 104.843 -2.281 . . . . 0.0 104.843 -171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.94 -10.16 18.11 Favored 'Trans proline' 0 CA--C 1.597 3.67 1 CA-C-N 130.69 4.854 . . . . 0.0 109.007 -173.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -87.69 128.98 35.29 Favored 'General case' 0 CA--C 1.463 -2.381 0 C-N-CA 129.43 3.092 . . . . 0.0 107.699 -163.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . 0.322 0.4 OUTLIER -122.73 136.42 54.87 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.22 -1.355 . . . . 0.0 108.03 168.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 123.23 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -174.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -102.22 127.22 49.27 Favored 'General case' 0 C--O 1.204 -1.322 0 O-C-N 117.352 -3.342 . . . . 0.0 106.773 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 62.4 t -118.69 127.53 75.64 Favored 'Isoleucine or valine' 0 C--N 1.372 1.551 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -126.01 125.4 42.6 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 130.105 3.362 . . . . 0.0 106.743 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.405 HG21 HG11 ' B' ' 7' ' ' VAL . 23.7 t -119.35 125.82 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.466 0 C-N-CA 127.89 2.476 . . . . 0.0 107.971 170.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -129.16 102.3 6.41 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 131.7 4.0 . . . . 0.0 117.073 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -118.32 110.52 30.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 C-N-CA 127.73 2.412 . . . . 0.0 104.582 -167.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 125.51 1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . 0.611 HG22 HG22 ' H' ' 20' ' ' VAL . 22.4 t . . . . . 0 CA--C 1.445 -3.082 0 CA-C-O 123.757 1.741 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.276 82.6 mttt -113.24 135.01 54.3 Favored 'General case' 0 N--CA 1.407 -2.578 1 O-C-N 115.692 -4.38 . . . . 0.0 113.012 169.553 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.426 HG22 HG13 ' H' ' 18' ' ' VAL . 58.5 t -130.71 142.57 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 103.317 -2.845 . . . . 0.0 103.317 -163.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -138.35 140.61 39.54 Favored 'General case' 0 N--CA 1.513 2.716 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -142.87 130.35 18.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 168.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -140.13 145.66 37.85 Favored 'General case' 0 CA--C 1.455 -2.697 0 O-C-N 118.322 -2.736 . . . . 0.0 111.713 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.264 9.5 p -143.81 134.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.386 2.168 0 O-C-N 118.037 -2.915 . . . . 0.0 110.381 -170.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -104.25 112.12 25.02 Favored 'General case' 0 C--O 1.264 1.849 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.704 168.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.78 104.99 17.96 Favored 'Isoleucine or valine' 0 C--O 1.252 1.228 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -172.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.63 -27.17 6.39 Favored 'Trans proline' 0 C--O 1.263 1.769 0 O-C-N 115.794 -2.793 . . . . 0.0 112.828 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.266 16.3 m -59.74 134.16 56.77 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.593 1.557 . . . . 0.0 107.272 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -118.73 115.22 24.03 Favored 'General case' 0 C--O 1.275 2.409 0 CA-C-O 116.203 -1.856 . . . . 0.0 111.299 170.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.67 124.32 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.508 0 CA-C-N 125.995 3.998 . . . . 0.0 103.041 -170.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -117.48 131.39 56.73 Favored 'General case' 0 N--CA 1.434 -1.24 0 O-C-N 120.752 -1.217 . . . . 0.0 109.576 166.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.484 HG22 HG13 ' F' ' 5' ' ' VAL . 74.7 t -116.71 119.31 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.346 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -131.16 124.49 30.79 Favored 'General case' 0 C--O 1.275 2.396 0 O-C-N 118.315 -2.741 . . . . 0.0 110.829 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -122.98 137.93 54.75 Favored 'Isoleucine or valine' 0 C--N 1.38 1.915 0 C-N-CA 125.927 1.691 . . . . 0.0 109.427 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -109.74 111.56 23.09 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 127.588 3.566 . . . . 0.0 108.879 155.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . 0.437 HG22 ' H ' ' G' ' 20' ' ' VAL . 24.1 m -83.04 57.93 0.16 Allowed 'Isoleucine or valine' 1 CA--C 1.64 4.441 0 O-C-N 119.407 -2.058 . . . . 0.0 113.957 177.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.565 -0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 1 N--CA 1.544 4.266 0 CA-C-O 117.659 -1.162 . . . . 0.0 107.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -166.9 174.33 8.59 Favored 'General case' 0 C--O 1.278 2.602 0 N-CA-C 103.015 -2.957 . . . . 0.0 103.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . 0.401 ' H ' ' HB ' ' H' ' 18' ' ' VAL 0.34 61.3 t -142.26 136.53 28.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 152.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -132.75 138.63 47.25 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 123.88 1.8 . . . . 0.0 107.747 164.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.18 130.52 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.451 0 N-CA-C 102.314 -3.217 . . . . 0.0 102.314 170.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -118.09 131.92 56.4 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 101.717 -3.438 . . . . 0.0 101.717 162.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.37 146.55 11.83 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 124.739 2.209 . . . . 0.0 110.279 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -104.73 118.41 36.5 Favored 'General case' 0 N--CA 1.514 2.734 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 170.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.48 114.36 46.46 Favored 'Isoleucine or valine' 0 C--N 1.368 1.382 0 CA-C-O 113.608 -3.092 . . . . 0.0 107.117 -175.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -84.6 10.05 3.88 Favored 'Trans proline' 0 CA--C 1.586 3.092 1 C-N-CA 126.753 4.968 . . . . 0.0 118.151 171.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -100.51 176.87 5.19 Favored 'General case' 0 N--CA 1.508 2.466 0 CA-C-N 122.908 2.595 . . . . 0.0 106.698 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -146.14 122.81 11.17 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 124.047 0.842 . . . . 0.0 112.83 167.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.58 133.96 66.61 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.385 0 C-N-CA 124.273 1.029 . . . . 0.0 112.957 -160.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -142.3 147.27 36.1 Favored 'General case' 0 C--N 1.417 3.542 0 O-C-N 119.563 -1.961 . . . . 0.0 108.274 169.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -133.34 138.54 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 -165.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.6 129.56 14.38 Favored 'General case' 0 C--N 1.378 1.814 1 O-C-N 115.211 -4.681 . . . . 0.0 109.852 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.426 HG13 HG22 ' G' ' 3' ' ' VAL . 38.7 t -123.65 124.19 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -120.17 110.31 16.46 Favored 'General case' 0 C--N 1.396 2.602 0 O-C-N 120.155 -1.591 . . . . 0.0 108.685 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.611 HG22 HG22 ' G' ' 1' ' ' VAL . 71.5 t -94.2 -79.55 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.062 0 O-C-N 119.028 -2.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.267 12.0 t . . . . . 0 C--O 1.205 -1.262 1 N-CA-C 122.222 4.156 . . . . 0.0 122.222 . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -126.6 127.8 45.81 Favored 'General case' 0 CA--C 1.595 2.702 0 C-N-CA 125.7 1.6 . . . . 0.0 111.246 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.8 119.89 61.66 Favored 'Isoleucine or valine' 0 C--O 1.264 1.86 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -106.67 134.42 49.84 Favored 'General case' 0 N--CA 1.385 -3.708 0 CA-C-O 122.88 1.324 . . . . 0.0 110.654 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.7 133.52 66.21 Favored 'Isoleucine or valine' 0 C--O 1.297 3.589 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.894 174.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -142.44 126.16 16.99 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 172.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HB ' HG13 ' B' ' 14' ' ' VAL . 1.6 p -140.37 137.2 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.812 -175.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -118.1 126.48 52.33 Favored 'General case' 0 C--N 1.387 2.235 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p -141.56 130.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.397 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . 0.478 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 10' ' ' DPR . 23.8 Cg_exo -101.34 13.65 0.41 Allowed 'Trans proline' 0 N--CA 1.504 2.141 0 C-N-CA 124.527 3.485 . . . . 0.0 111.891 -173.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -135.2 170.93 15.16 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.784 1.629 . . . . 0.0 110.46 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -159.05 155.04 26.68 Favored 'General case' 0 CA--C 1.594 2.645 0 O-C-N 117.765 -3.085 . . . . 0.0 108.826 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 0.8 OUTLIER -147.96 143.15 19.48 Favored 'Isoleucine or valine' 0 C--O 1.267 1.978 0 O-C-N 119.038 -2.289 . . . . 0.0 109.554 176.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -136.3 137.44 40.69 Favored 'General case' 0 CA--C 1.465 -2.311 0 CA-C-N 112.125 -2.307 . . . . 0.0 109.367 169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -150.66 148.93 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.084 0 O-C-N 126.89 2.619 . . . . 0.0 107.291 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -117.37 128.88 55.46 Favored 'General case' 0 C--N 1.364 1.227 0 O-C-N 119.853 -1.779 . . . . 0.0 112.986 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -122.09 128.09 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.785 0 O-C-N 118.664 -2.522 . . . . 0.0 104.287 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -115.32 119.55 36.66 Favored 'General case' 1 CA--C 1.41 -4.442 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 172.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.2 t -100.95 77.42 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.846 0 CA-C-O 115.643 -2.122 . . . . 0.0 108.681 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 1 CA-C-N 126.565 4.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.409 HG13 ' O ' ' C' ' 19' ' ' LYS . 10.3 t . . . . . 0 N--CA 1.524 3.267 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -111.07 126.16 54.52 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 125.7 2.666 . . . . 0.0 113.178 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.511 HG13 HG22 ' C' ' 18' ' ' VAL . 62.0 t -127.93 139.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.4 2.78 2 N-CA-C 99.145 -4.391 . . . . 0.0 99.145 -176.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -129.11 124.42 34.71 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 119.251 -2.156 . . . . 0.0 109.936 170.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -118.65 122.41 69.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 O-C-N 116.486 -3.884 . . . . 0.0 109.199 -171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -124.69 141.88 51.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 102.788 -3.041 . . . . 0.0 102.788 172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.322 10.0 p -136.08 131.52 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-N 109.282 -3.599 . . . . 0.0 109.643 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -135.64 125.59 25.86 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 120.005 1.275 . . . . 0.0 112.639 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -119.87 105.09 16.59 Favored 'Isoleucine or valine' 0 C--O 1.276 2.494 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.43 -15.02 34.51 Favored 'Trans proline' 0 CA--C 1.477 -2.366 1 C-N-CA 127.748 5.632 . . . . 0.0 111.852 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -105.9 116.33 31.75 Favored 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 125.441 1.497 . . . . 0.0 109.591 -164.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -135.91 133.29 37.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 -166.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 7' ' ' VAL . 5.3 t -134.49 131.4 54.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.306 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 -168.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.14 137.88 51.75 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.506 -2.621 . . . . 0.0 108.533 166.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.07 138.02 49.57 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 O-C-N 120.405 -1.434 . . . . 0.0 112.142 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.16 125.45 35.04 Favored 'General case' 0 CA--C 1.484 -1.576 0 C-N-CA 125.411 1.484 . . . . 0.0 110.04 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.15 115.53 46.47 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.333 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.832 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -114.86 112.25 22.46 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 166.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.23 -67.08 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.385 -3.721 0 CA-C-O 123.944 1.831 . . . . 0.0 112.979 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.783 1 O-C-N 114.131 -5.355 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.179 -2.633 0 CA-C-O 122.84 1.305 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . 0.286 92.1 mttt -114.38 145.68 41.52 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 113.285 -1.779 . . . . 0.0 110.298 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.456 HG22 HG13 ' D' ' 18' ' ' VAL . 41.4 t -137.7 141.87 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.856 0 CA-C-O 126.629 3.109 . . . . 0.0 102.972 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.344 41.6 mttp -136.49 136.99 39.88 Favored 'General case' 0 N--CA 1.418 -2.053 0 O-C-N 119.685 -1.884 . . . . 0.0 106.127 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.22 141.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.399 2.761 0 C-N-CA 129.372 3.069 . . . . 0.0 104.971 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.31 137.64 47.52 Favored 'General case' 0 C--N 1.37 1.481 0 N-CA-C 102.496 -3.15 . . . . 0.0 102.496 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.551 HG23 HG22 ' D' ' 14' ' ' VAL . 14.6 p -151.94 135.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 CA-C-O 123.325 1.536 . . . . 0.0 113.007 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -137.07 124.89 22.53 Favored 'General case' 0 N--CA 1.394 -3.241 0 O-C-N 119.372 -2.08 . . . . 0.0 107.435 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 m -143.51 159.49 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -99.72 99.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.438 -1.777 0 C-N-CA 123.427 2.751 . . . . 0.0 110.375 163.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 5.0 m 172.91 134.91 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 -172.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -122.47 136.94 55.0 Favored 'General case' 1 CA--C 1.632 4.128 0 C-N-CA 127.243 2.217 . . . . 0.0 111.278 164.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.06 140.07 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.048 0 O-C-N 116.899 -3.626 . . . . 0.0 109.13 164.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -141.76 129.85 22.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 116.907 -3.621 . . . . 0.0 102.492 160.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -119.43 130.23 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.517 0 C-N-CA 126.613 1.965 . . . . 0.0 110.009 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -110.86 135.92 50.68 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.511 HG22 HG13 ' B' ' 3' ' ' VAL . 43.6 t -132.32 137.17 55.02 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.472 0 O-C-N 120.878 -1.139 . . . . 0.0 108.292 -175.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.409 ' O ' HG13 ' B' ' 1' ' ' VAL . 64.8 tttt -131.13 124.7 31.29 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 125.731 2.681 . . . . 0.0 108.632 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -70.87 -48.84 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.188 0 O-C-N 117.083 -3.51 . . . . 0.0 111.289 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 O-C-N 122.102 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.477 -1.855 0 CA-C-O 125.805 2.716 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -120.4 134.99 55.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 118.045 -2.909 . . . . 0.0 107.168 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 m -136.41 153.27 30.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 128.895 2.878 . . . . 0.0 110.875 171.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -155.81 154.58 31.57 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-O 125.179 2.419 . . . . 0.0 113.054 -158.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -144.0 142.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.372 1.544 0 CA-C-N 112.611 -2.086 . . . . 0.0 109.961 167.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -164.97 153.75 12.38 Favored 'General case' 0 C--N 1.408 3.133 0 CA-C-O 126.802 3.191 . . . . 0.0 111.276 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -150.38 134.09 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 110.978 -2.828 . . . . 0.0 107.069 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.258 60.6 mttm -130.67 117.03 18.88 Favored 'General case' 0 CA--C 1.584 2.287 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.1 t -126.83 98.16 4.56 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.97 0 O-C-N 126.21 2.194 . . . . 0.0 111.621 167.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.75 -2.94 11.01 Favored 'Trans proline' 0 CA--C 1.553 1.446 0 CA-C-N 126.281 3.279 . . . . 0.0 113.12 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 87.6 m -107.71 103.76 13.11 Favored 'General case' 0 CA--C 1.597 2.782 0 C-N-CA 128.116 2.567 . . . . 0.0 108.625 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -135.35 127.25 29.46 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 118.653 -2.529 . . . . 0.0 107.947 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.551 HG22 HG23 ' C' ' 7' ' ' VAL . 15.2 t -130.69 143.66 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.247 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.91 139.4 22.55 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 119.583 -1.948 . . . . 0.0 113.23 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 98.4 t -128.49 113.27 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 C-N-CA 126.137 1.775 . . . . 0.0 106.955 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -122.44 144.77 48.84 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 124.83 2.252 . . . . 0.0 112.684 173.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.456 HG13 HG22 ' C' ' 3' ' ' VAL . 2.6 t -123.51 128.16 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.443 -3.163 0 CA-C-N 112.453 -2.158 . . . . 0.0 113.008 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -106.67 105.3 15.27 Favored 'General case' 0 C--N 1.385 2.129 1 CA-C-O 128.543 4.021 . . . . 0.0 104.58 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 149.13 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.399 -2.985 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 117.906 -2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . 0.418 HG13 HG22 ' F' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.577 1.985 0 CA-C-O 121.045 0.45 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -131.25 133.18 45.19 Favored 'General case' 0 N--CA 1.407 -2.605 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.095 175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 85.4 t -120.66 117.16 52.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 171.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -128.47 113.54 15.65 Favored 'General case' 0 C--O 1.184 -2.382 0 C-N-CA 124.088 0.955 . . . . 0.0 113.149 -172.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.586 HG22 HG13 ' F' ' 16' ' ' VAL . 25.3 t -116.31 130.28 71.35 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -171.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -132.38 119.78 21.14 Favored 'General case' 1 CA--C 1.644 4.579 0 O-C-N 118.558 -2.589 . . . . 0.0 109.682 -173.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -104.56 127.04 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.386 0 C-N-CA 127.842 2.457 . . . . 0.0 112.921 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -127.8 124.34 37.39 Favored 'General case' 0 CA--C 1.489 -1.398 0 O-C-N 119.213 -2.179 . . . . 0.0 110.388 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' F' ' 12' ' ' THR . 46.8 t -131.83 121.59 47.63 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 CA-C-O 115.259 -2.305 . . . . 0.0 107.587 174.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -77.59 -4.62 14.78 Favored 'Trans proline' 0 C--O 1.281 2.662 0 CA-C-N 125.059 2.843 . . . . 0.0 118.639 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.358 19.1 m -98.06 118.83 35.54 Favored 'General case' 0 N--CA 1.405 -2.679 1 C-N-CA 133.355 4.662 . . . . 0.0 112.494 -159.873 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.421 3.7 0 O-C-N 117.91 -2.994 . . . . 0.0 113.267 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.1 115.59 3.14 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.496 0 O-C-N 119.348 -2.095 . . . . 0.0 106.911 -157.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -114.68 134.56 54.98 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.946 1.355 . . . . 0.0 112.712 -168.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . 0.508 ' HB ' ' HB ' ' E' ' 5' ' ' VAL . 55.7 t -108.92 131.77 58.74 Favored 'Isoleucine or valine' 0 C--N 1.367 1.361 0 N-CA-C 103.732 -2.692 . . . . 0.0 103.732 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -153.0 141.83 21.1 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 122.257 2.298 . . . . 0.0 111.519 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -124.18 120.57 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.491 1 O-C-N 116.212 -4.055 . . . . 0.0 109.698 171.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -104.12 139.98 38.43 Favored 'General case' 0 C--O 1.19 -2.033 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.77 95.89 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.124 0 C-N-CA 128.624 2.77 . . . . 0.0 110.816 167.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.259 0 CA-C-N 114.246 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.396 -3.149 0 N-CA-C 104.089 -2.56 . . . . 0.0 104.089 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.19 136.5 41.85 Favored 'General case' 0 CA--C 1.478 -1.808 0 O-C-N 118.727 -2.483 . . . . 0.0 107.443 169.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 t -129.04 124.51 60.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 O-C-N 117.018 -3.551 . . . . 0.0 105.754 -173.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -117.21 116.39 27.18 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 123.8 1.762 . . . . 0.0 107.637 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.57 123.72 66.68 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.578 0 O-C-N 117.526 -3.234 . . . . 0.0 107.406 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -127.71 123.38 35.29 Favored 'General case' 0 C--N 1.412 3.309 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -170.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.297 12.1 p -139.45 122.09 17.38 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.272 0 CA-C-O 123.372 1.558 . . . . 0.0 113.52 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -87.24 128.61 35.15 Favored 'General case' 0 C--N 1.388 2.27 0 O-C-N 120.736 -1.227 . . . . 0.0 111.514 164.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.91 107.82 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 C-N-CA 129.502 3.121 . . . . 0.0 107.661 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.45 -15.03 15.92 Favored 'Trans proline' 0 N--CA 1.431 -2.181 0 C-N-CA 124.542 3.495 . . . . 0.0 109.879 -173.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . 0.504 ' HA ' HG22 ' E' ' 9' ' ' VAL . 32.6 m -84.19 115.76 22.59 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 130.847 3.659 . . . . 0.0 106.52 -176.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 129.63 55.52 Favored 'General case' 0 N--CA 1.389 -3.507 0 O-C-N 121.394 -0.816 . . . . 0.0 111.748 169.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -126.44 141.53 45.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.783 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 -173.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.257 29.5 mtmt -126.73 137.81 53.3 Favored 'General case' 0 CA--C 1.5 -0.973 1 N-CA-C 99.488 -4.264 . . . . 0.0 99.488 177.445 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . 0.586 HG13 HG22 ' E' ' 5' ' ' VAL . 38.6 t -136.0 120.79 26.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 171.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -121.33 135.09 55.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.74 2.416 . . . . 0.0 106.861 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -131.8 127.89 59.32 Favored 'Isoleucine or valine' 0 C--O 1.271 2.209 0 N-CA-C 101.539 -3.504 . . . . 0.0 101.539 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -129.91 129.52 43.98 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 126.726 2.516 . . . . 0.0 113.6 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.418 HG22 HG13 ' E' ' 1' ' ' VAL . 58.1 t -143.24 114.35 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.964 1 N-CA-C 100.035 -4.061 . . . . 0.0 100.035 -164.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.177 0 CA-C-N 116.527 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -92.45 134.02 35.35 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 127.506 3.004 . . . . 0.0 107.763 168.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.662 HG22 HG22 ' H' ' 18' ' ' VAL . 14.2 t -118.34 135.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 102.236 -3.246 . . . . 0.0 102.236 -173.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . 0.255 64.8 mttt -120.46 115.86 24.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 114.245 -1.343 . . . . 0.0 114.095 174.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.91 131.61 67.85 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 1 N-CA-C 99.774 -4.158 . . . . 0.0 99.774 167.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -140.24 151.05 44.84 Favored 'General case' 0 N--CA 1.538 3.938 0 CA-C-O 124.251 1.977 . . . . 0.0 111.014 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -147.13 150.38 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.644 0 O-C-N 120.294 -1.504 . . . . 0.0 110.158 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -115.26 123.92 50.04 Favored 'General case' 0 CA--C 1.478 -1.824 0 CA-C-O 115.972 -1.966 . . . . 0.0 107.786 175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -128.27 102.97 9.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 125.702 1.876 . . . . 0.0 107.693 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.71 -9.0 23.36 Favored 'Trans proline' 0 N--CA 1.515 2.786 0 C-N-CA 124.175 3.25 . . . . 0.0 117.373 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 132.25 50.48 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 117.934 -2.979 . . . . 0.0 115.229 162.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 70.1 mttt -133.82 118.84 18.47 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 119.963 -1.711 . . . . 0.0 109.502 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.53 139.17 51.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.447 0 O-C-N 120.406 -1.434 . . . . 0.0 109.237 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -133.35 134.9 44.36 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 125.055 1.472 . . . . 0.0 109.706 167.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.7 t -118.2 122.75 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.749 0 O-C-N 119.39 -2.069 . . . . 0.0 105.481 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 62.8 tttt -115.83 130.15 56.72 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 119.558 -1.964 . . . . 0.0 109.212 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.411 HG12 HG13 ' G' ' 20' ' ' VAL . 6.5 t -128.3 123.21 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.617 0 O-C-N 119.924 -1.735 . . . . 0.0 108.635 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -118.71 117.76 29.78 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 121.541 1.973 . . . . 0.0 107.416 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . 0.411 HG13 HG12 ' G' ' 18' ' ' VAL . 4.2 m -112.61 60.68 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.197 -1.667 0 CA-C-O 128.412 3.958 . . . . 0.0 113.768 -154.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 118.245 -2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 125.655 2.645 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.309 48.2 pttt -138.74 137.5 36.81 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.86 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.88 136.29 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.914 0 CA-C-N 119.596 1.089 . . . . 0.0 110.007 166.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -147.56 124.51 11.32 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 114.892 -2.723 . . . . 0.0 106.82 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 t -143.62 131.0 17.84 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.107 1 N-CA-C 99.184 -4.376 . . . . 0.0 99.184 -174.966 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -139.08 125.93 20.93 Favored 'General case' 0 N--CA 1.393 -3.276 0 O-C-N 117.745 -3.097 . . . . 0.0 110.629 164.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.86 149.86 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 112.614 -2.085 . . . . 0.0 110.807 -173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 127.56 53.9 Favored 'General case' 0 CA--C 1.575 1.916 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.687 165.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.16 140.44 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 112.003 -3.855 . . . . 0.0 111.4 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -109.7 73.43 0.01 OUTLIER 'Trans proline' 2 CA--C 1.641 5.86 0 N-CA-C 103.617 -3.263 . . . . 0.0 103.617 -176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -175.73 117.04 0.15 Allowed 'General case' 0 CA--C 1.48 -1.715 0 CA-C-O 127.963 3.744 . . . . 0.0 113.298 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -99.34 127.55 45.37 Favored 'General case' 0 C--O 1.271 2.235 1 O-C-N 114.792 -4.943 . . . . 0.0 111.26 -170.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.14 132.68 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-N 120.39 1.45 . . . . 0.0 112.486 -168.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -123.85 126.52 46.55 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 111.789 -2.459 . . . . 0.0 113.943 168.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.03 123.74 68.65 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 O-C-N 117.509 -3.245 . . . . 0.0 105.04 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -141.08 133.19 27.89 Favored 'General case' 0 N--CA 1.52 3.043 0 O-C-N 118.079 -2.888 . . . . 0.0 115.499 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.662 HG22 HG22 ' G' ' 3' ' ' VAL . 94.6 t -132.48 137.24 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.731 0 C-N-CA 127.44 2.296 . . . . 0.0 108.913 168.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -146.38 138.11 24.75 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.8 1.64 . . . . 0.0 108.229 173.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 72.3 t -107.92 -58.4 3.8 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 127.606 2.362 . . . . 0.0 106.989 -169.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.398 1 O-C-N 116.104 -4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 124.901 2.286 . . . . 0.0 116.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -126.71 141.55 51.81 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 129.679 3.191 . . . . 0.0 109.715 -166.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t -142.63 136.9 27.86 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -127.94 124.12 36.56 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 126.262 1.825 . . . . 0.0 106.152 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.7 136.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-O 113.557 -3.116 . . . . 0.0 108.514 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -144.83 148.46 34.03 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 126.699 2.499 . . . . 0.0 111.987 167.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.54 148.23 12.31 Favored 'Isoleucine or valine' 0 C--O 1.283 2.863 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . 0.288 50.4 mttm -130.0 137.47 50.3 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.99 -2.596 . . . . 0.0 103.99 164.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG11 HG11 ' E' ' 18' ' ' VAL . 9.1 p -158.08 143.92 8.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.656 0 CA-C-O 115.528 -2.177 . . . . 0.0 106.608 -164.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -103.97 39.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.369 1.621 0 N-CA-C 104.695 -2.848 . . . . 0.0 104.695 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -147.6 165.19 31.15 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-N 125.342 3.701 . . . . 0.0 111.688 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -151.51 159.7 44.03 Favored 'General case' 0 C--N 1.379 1.851 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.158 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.32 146.2 19.92 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 O-C-N 119.634 -1.916 . . . . 0.0 110.145 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -122.63 123.8 41.99 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 118.557 -2.59 . . . . 0.0 109.353 159.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.0 137.44 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.447 1 O-C-N 113.42 -5.8 . . . . 0.0 109.322 -173.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -108.72 142.01 39.86 Favored 'General case' 0 N--CA 1.513 2.684 0 O-C-N 120.508 -1.37 . . . . 0.0 109.699 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.35 136.79 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 123.65 1.691 . . . . 0.0 109.952 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.36 109.36 14.8 Favored 'General case' 0 CA--C 1.596 2.737 0 O-C-N 118.408 -2.682 . . . . 0.0 111.889 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.2 128.66 51.94 Favored 'Isoleucine or valine' 0 C--O 1.264 1.829 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -165.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.465 0 O-C-N 119.566 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.27 24.6 t . . . . . 0 N--CA 1.507 2.425 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -113.21 133.68 54.95 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 129.055 2.942 . . . . 0.0 110.798 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.421 HG12 HG23 ' B' ' 5' ' ' VAL . 77.7 t -135.6 134.18 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 O-C-N 117.973 -2.954 . . . . 0.0 115.806 -171.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.83 128.19 40.16 Favored 'General case' 0 C--N 1.375 1.687 0 O-C-N 117.653 -3.154 . . . . 0.0 108.329 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.421 HG23 HG12 ' B' ' 3' ' ' VAL . 83.2 t -122.52 134.26 66.26 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 104.79 -2.3 . . . . 0.0 104.79 -169.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -138.77 134.62 33.71 Favored 'General case' 0 N--CA 1.419 -2.007 0 O-C-N 120.116 -1.615 . . . . 0.0 109.897 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 p -138.15 130.61 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.903 0 O-C-N 120.013 -1.68 . . . . 0.0 110.478 173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -126.28 126.95 44.82 Favored 'General case' 0 C--N 1.386 2.181 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.596 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.8 t -122.73 93.96 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.776 0 O-C-N 119.098 -2.252 . . . . 0.0 106.458 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -61.28 -30.34 87.8 Favored 'Trans proline' 0 N--CA 1.441 -1.597 0 C-N-CA 125.046 3.83 . . . . 0.0 118.408 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.314 23.9 m -68.07 112.04 4.81 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 175.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -123.27 121.62 36.31 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 127.465 2.306 . . . . 0.0 116.198 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . 0.263 7.6 t -128.57 123.79 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.435 -3.465 0 CA-C-O 121.917 0.865 . . . . 0.0 111.687 -172.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.356 16.7 ptpt -113.89 146.94 39.31 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 121.552 -0.717 . . . . 0.0 110.351 172.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG21 HG22 ' F' ' 16' ' ' VAL . 97.7 t -137.71 116.5 14.3 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 CA-C-O 124.624 2.154 . . . . 0.0 109.638 168.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -89.69 145.98 24.84 Favored 'General case' 0 C--O 1.198 -1.627 0 O-C-N 117.811 -3.055 . . . . 0.0 108.258 169.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 t -139.52 142.89 31.97 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 120.187 -1.571 . . . . 0.0 106.773 169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -141.06 128.23 20.87 Favored 'General case' 0 CA--C 1.453 -2.778 0 O-C-N 119.176 -2.203 . . . . 0.0 108.979 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.99 -55.12 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.522 0 C-N-CA 126.717 2.007 . . . . 0.0 113.596 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 119.334 -2.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.252 64.4 t . . . . . 1 N--CA 1.546 4.332 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 78.4 mttt -129.54 142.85 50.67 Favored 'General case' 0 C--O 1.171 -3.062 0 N-CA-C 102.645 -3.094 . . . . 0.0 102.645 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.416 HG22 HG13 ' D' ' 18' ' ' VAL . 86.6 t -131.95 133.43 60.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 CA-C-N 121.948 2.158 . . . . 0.0 105.407 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -123.7 136.72 54.63 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 101.328 -3.582 . . . . 0.0 101.328 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.469 HG13 HG22 ' D' ' 16' ' ' VAL . 22.0 t -120.1 135.8 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.498 0 O-C-N 128.147 3.404 . . . . 0.0 110.658 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -136.99 129.91 30.7 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 129.231 3.013 . . . . 0.0 110.788 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.421 HG23 HG22 ' D' ' 14' ' ' VAL . 1.7 p -138.38 124.34 24.87 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 CA-C-O 125.777 2.703 . . . . 0.0 109.026 166.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -117.18 126.66 53.13 Favored 'General case' 0 C--N 1.382 1.98 0 O-C-N 118.118 -2.864 . . . . 0.0 104.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.9 m -149.73 144.69 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 120.004 -1.685 . . . . 0.0 108.428 -170.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -123.38 70.19 0.0 OUTLIER 'Trans proline' 0 CA--C 1.491 -1.633 0 O-C-N 128.137 3.703 . . . . 0.0 106.529 164.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' C' ' 13' ' ' LYS . 13.8 m -159.5 147.98 17.71 Favored 'General case' 0 CA--C 1.586 2.344 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . 0.412 ' N ' HG22 ' C' ' 12' ' ' THR 0.267 49.4 mtmt -138.72 137.03 36.4 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-O 115.575 -2.155 . . . . 0.0 107.535 169.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 41.3 t -124.88 141.82 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.656 0 O-C-N 128.17 3.419 . . . . 0.0 108.564 167.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -146.77 158.69 43.97 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 122.19 0.995 . . . . 0.0 110.467 167.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.1 t -147.23 149.98 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.165 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.982 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -131.01 127.41 38.27 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.257 2.623 . . . . 0.0 108.74 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 42.0 t -123.88 145.58 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.694 0 C-N-CA 129.85 3.26 . . . . 0.0 108.835 -174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.91 134.63 35.23 Favored 'General case' 0 N--CA 1.405 -2.696 0 C-N-CA 125.539 1.536 . . . . 0.0 107.062 166.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.367 3.1 t -81.19 -72.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 C-N-CA 130.614 3.565 . . . . 0.0 113.78 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.19 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.574 5.755 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -148.99 150.67 33.23 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 173.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -131.84 156.17 42.3 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 C-N-CA 130.274 3.43 . . . . 0.0 109.488 168.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -139.88 155.22 47.31 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 117.355 -3.341 . . . . 0.0 115.257 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 82.3 t -124.94 126.39 71.18 Favored 'Isoleucine or valine' 0 C--O 1.273 2.295 1 N-CA-C 100.106 -4.035 . . . . 0.0 100.106 172.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -145.8 132.58 20.03 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 118.741 -2.474 . . . . 0.0 107.719 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 p -138.45 138.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.407 3.094 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -141.15 114.03 8.42 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 102.276 -3.231 . . . . 0.0 102.276 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -113.64 101.44 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.77 0 CA-C-O 116.346 -1.788 . . . . 0.0 115.293 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . 0.265 72.7 Cg_exo -58.09 -1.42 0.61 Allowed 'Trans proline' 0 N--CA 1.498 1.788 0 N-CA-C 120.876 3.375 . . . . 0.0 120.876 169.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 96.62 6.48 Favored 'General case' 0 C--O 1.27 2.151 1 O-C-N 113.659 -5.651 . . . . 0.0 101.755 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -109.85 132.57 54.03 Favored 'General case' 0 CA--C 1.439 -3.311 0 C-N-CA 125.561 1.544 . . . . 0.0 108.659 177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.421 HG22 HG23 ' C' ' 7' ' ' VAL . 79.4 t -135.79 132.93 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -149.36 127.44 11.99 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 117.746 2.498 . . . . 0.0 117.746 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 5' ' ' VAL . 63.2 t -124.87 136.79 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 O-C-N 119.445 -2.034 . . . . 0.0 107.935 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -145.41 157.78 43.96 Favored 'General case' 0 N--CA 1.404 -2.759 0 CA-C-N 122.243 2.292 . . . . 0.0 111.1 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.416 HG13 HG22 ' C' ' 3' ' ' VAL . 20.6 t -123.88 129.62 74.27 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 C-N-CA 116.353 -2.139 . . . . 0.0 111.681 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 45.3 tptt -97.64 109.45 22.2 Favored 'General case' 0 CA--C 1.572 1.81 1 O-C-N 114.722 -4.986 . . . . 0.0 108.952 167.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.25 91.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 101.21 -3.626 . . . . 0.0 101.21 166.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.161 1 O-C-N 115.432 -4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 CA--C 1.495 -1.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -153.28 142.06 21.04 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.145 -1.597 . . . . 0.0 106.769 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.13 130.33 60.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 O-C-N 119.046 -2.284 . . . . 0.0 106.41 -171.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -120.65 136.59 54.79 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 119.189 -2.194 . . . . 0.0 110.127 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.35 128.19 73.75 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.365 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.505 158.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -121.74 126.0 47.88 Favored 'General case' 0 CA--C 1.449 -2.942 0 CA-C-O 126.762 3.172 . . . . 0.0 114.059 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.452 HG23 HG22 ' F' ' 14' ' ' VAL 0.331 2.8 p -121.7 120.83 62.78 Favored 'Isoleucine or valine' 0 C--N 1.381 1.945 0 O-C-N 117.961 -2.962 . . . . 0.0 112.4 -168.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -127.05 122.77 35.31 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 119.453 1.024 . . . . 0.0 108.242 -165.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.98 121.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.371 1.523 0 C-N-CA 120.244 -0.583 . . . . 0.0 110.197 166.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -91.87 -1.53 4.32 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 N-CA-C 107.214 -1.879 . . . . 0.0 107.214 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 22.4 m -105.7 110.31 22.57 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 125.966 1.706 . . . . 0.0 109.948 -171.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -122.02 135.04 54.8 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 104.075 -2.565 . . . . 0.0 104.075 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.86 135.9 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 CA-C-O 115.298 -2.287 . . . . 0.0 114.542 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -117.57 139.79 50.49 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -109.66 127.37 66.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 172.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.263 37.3 pttt -145.48 129.15 17.15 Favored 'General case' 0 C--O 1.267 1.984 0 CA-C-N 124.071 3.123 . . . . 0.0 111.352 -170.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.506 HG11 HG11 ' A' ' 9' ' ' VAL . 11.0 t -121.16 141.85 39.88 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.714 0 CA-C-O 124.217 1.96 . . . . 0.0 106.568 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -137.26 146.43 44.74 Favored 'General case' 0 C--O 1.259 1.586 1 O-C-N 115.99 -4.194 . . . . 0.0 115.033 174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.48 129.11 55.71 Favored 'Isoleucine or valine' 0 C--N 1.378 1.812 0 O-C-N 116.621 -3.8 . . . . 0.0 104.479 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.723 0 O-C-N 118.615 -2.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 67.8 t . . . . . 1 N--CA 1.551 4.591 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.148 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -126.55 119.0 26.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 102.817 -3.031 . . . . 0.0 102.817 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' F' ' 17' ' ' LYS . 2.3 t -117.71 136.23 55.55 Favored 'Isoleucine or valine' 0 C--N 1.424 3.836 0 CA-C-O 125.572 2.606 . . . . 0.0 111.046 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -130.4 128.44 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 CA-C-N 113.386 -1.734 . . . . 0.0 106.628 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.9 116.59 41.51 Favored 'Isoleucine or valine' 0 C--O 1.291 3.244 0 O-C-N 118.363 -2.711 . . . . 0.0 105.644 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 142.14 43.42 Favored 'General case' 0 C--O 1.18 -2.573 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -148.99 142.71 18.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.866 0 C-N-CA 116.557 -2.057 . . . . 0.0 106.401 174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -112.64 111.62 22.57 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 123.336 1.541 . . . . 0.0 108.581 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.75 100.83 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 1 N-CA-C 100.177 -4.008 . . . . 0.0 100.177 -159.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -93.83 15.74 1.26 Allowed 'Trans proline' 0 CA--C 1.563 1.964 0 C-N-CA 123.948 3.099 . . . . 0.0 111.564 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 20.8 m -124.12 113.88 18.94 Favored 'General case' 0 C--O 1.275 2.416 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 -160.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.46 119.14 38.64 Favored 'General case' 0 CA--C 1.579 2.093 0 O-C-N 119.05 -2.281 . . . . 0.0 106.915 -173.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . 0.452 HG22 HG23 ' E' ' 7' ' ' VAL . 46.2 t -118.72 132.17 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.432 -3.562 0 CA-C-O 125.175 2.417 . . . . 0.0 113.626 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -114.6 127.57 55.85 Favored 'General case' 0 C--N 1.369 1.445 0 C-N-CA 126.527 1.931 . . . . 0.0 111.337 171.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . 0.411 HG22 HG21 ' B' ' 16' ' ' VAL . 76.9 t -126.79 129.99 71.49 Favored 'Isoleucine or valine' 0 C--N 1.4 2.802 0 N-CA-C 102.456 -3.165 . . . . 0.0 102.456 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' F' ' 3' ' ' VAL . 59.0 tttt -135.25 132.07 37.38 Favored 'General case' 0 N--CA 1.532 3.628 0 CA-C-N 119.851 1.205 . . . . 0.0 111.405 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.48 132.06 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.061 0 CA-C-N 122.618 2.463 . . . . 0.0 110.408 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -125.57 123.53 39.28 Favored 'General case' 0 N--CA 1.39 -3.456 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.03 129.94 74.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.85 1 C-N-CA 135.252 5.421 . . . . 0.0 108.024 172.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.841 0 CA-C-N 113.585 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.524 3.272 0 CA-C-O 123.972 1.844 . . . . 0.0 114.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -117.32 144.09 45.26 Favored 'General case' 0 CA--C 1.605 3.075 0 CA-C-N 113.255 -1.793 . . . . 0.0 107.228 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.452 HG13 HG22 ' H' ' 18' ' ' VAL . 91.7 t -132.13 127.95 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.544 0 O-C-N 120.275 -1.516 . . . . 0.0 108.385 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -113.74 123.57 50.19 Favored 'General case' 0 N--CA 1.396 -3.125 0 C-N-CA 127.489 2.316 . . . . 0.0 106.304 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -122.52 126.08 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.269 0 O-C-N 118.268 -2.77 . . . . 0.0 105.847 167.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.362 32.3 pttt -137.18 137.81 39.54 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 121.76 2.073 . . . . 0.0 106.709 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.59 133.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.645 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -166.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -105.6 130.25 53.68 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . 0.284 48.5 t -123.47 83.57 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 C-N-CA 128.437 2.695 . . . . 0.0 108.322 -172.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -71.75 -15.56 30.03 Favored 'Trans proline' 0 C--N 1.392 2.859 0 CA-C-N 122.373 1.883 . . . . 0.0 111.864 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.22 116.14 9.32 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 122.122 2.237 . . . . 0.0 116.956 169.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -107.03 122.56 46.69 Favored 'General case' 0 N--CA 1.399 -3.022 0 CA-C-O 116.444 -1.741 . . . . 0.0 106.9 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 t -121.81 127.8 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.497 0 C-N-CA 130.337 3.455 . . . . 0.0 104.784 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -123.25 123.34 40.53 Favored 'General case' 0 C--N 1.394 2.507 0 O-C-N 119.518 -1.989 . . . . 0.0 107.141 169.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -118.67 142.76 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.706 0 N-CA-C 103.765 -2.68 . . . . 0.0 103.765 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -148.69 149.07 30.82 Favored 'General case' 0 CA--C 1.579 2.079 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 t -148.24 129.93 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.295 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -122.79 118.55 28.25 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 101.102 -3.666 . . . . 0.0 101.102 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 13.5 m -108.9 33.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.598 2.794 1 C-N-CA 131.9 4.08 . . . . 0.0 109.708 -172.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.19 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.581 2.168 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -141.56 32.78 1.65 Allowed 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 128.892 2.877 . . . . 0.0 113.394 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -56.2 125.82 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-O 127.499 3.523 . . . . 0.0 106.898 -171.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -142.26 112.93 7.31 Favored 'General case' 0 C--O 1.176 -2.795 1 O-C-N 115.868 -4.27 . . . . 0.0 108.756 169.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.97 114.52 8.95 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-N 121.398 1.908 . . . . 0.0 107.797 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -131.06 109.33 10.41 Favored 'General case' 0 CA--C 1.568 1.662 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -149.5 146.25 17.18 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.998 0 O-C-N 127.499 3.0 . . . . 0.0 106.639 -153.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.29 0.6 OUTLIER -121.17 128.04 52.11 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 104.961 -2.236 . . . . 0.0 104.961 163.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.48 139.57 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.852 0 O-C-N 119.366 -2.084 . . . . 0.0 105.965 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -100.89 64.54 0.04 OUTLIER 'Trans proline' 0 CA--C 1.581 2.843 0 N-CA-C 106.507 -2.151 . . . . 0.0 106.507 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 65.6 m -160.84 135.93 7.69 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 119.661 -1.899 . . . . 0.0 113.356 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.295 78.1 tttt -115.9 128.54 55.86 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 123.745 0.653 . . . . 0.0 109.737 -168.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . 0.267 98.5 t -136.58 136.89 48.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -161.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -130.61 123.26 29.07 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 126.032 2.825 . . . . 0.0 110.962 159.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 45.2 t -123.48 138.92 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.247 0 O-C-N 119.314 -2.116 . . . . 0.0 109.173 170.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -146.79 134.89 21.57 Favored 'General case' 0 C--O 1.2 -1.541 0 C-N-CA 126.332 1.853 . . . . 0.0 109.143 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.452 HG22 HG13 ' G' ' 3' ' ' VAL . 19.5 t -134.93 114.67 17.68 Favored 'Isoleucine or valine' 0 C--O 1.262 1.726 0 C-N-CA 128.232 2.613 . . . . 0.0 108.789 166.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -119.9 146.87 45.37 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 124.734 1.214 . . . . 0.0 111.208 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 38.3 t -142.36 -73.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 126.299 1.84 . . . . 0.0 111.383 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.409 0 CA-C-N 120.846 1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.554 1.105 0 CA-C-O 123.478 1.609 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -105.17 125.79 51.36 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 113.262 -3.256 . . . . 0.0 106.19 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.67 131.66 59.76 Favored 'Isoleucine or valine' 0 C--N 1.4 2.779 0 O-C-N 126.587 2.429 . . . . 0.0 107.431 -177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -118.34 125.19 49.54 Favored 'General case' 0 C--N 1.386 2.179 0 O-C-N 119.26 -2.15 . . . . 0.0 106.941 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.92 129.98 73.49 Favored 'Isoleucine or valine' 0 C--N 1.397 2.669 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.285 44.8 tttt -139.14 135.54 34.17 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.874 -175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.63 137.27 9.78 Favored 'Isoleucine or valine' 0 C--O 1.25 1.117 0 CA-C-O 123.583 1.658 . . . . 0.0 108.81 -166.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -118.65 144.78 45.94 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.526 -2.124 . . . . 0.0 113.447 157.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.3 134.87 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -161.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -115.19 30.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.484 -2.021 0 CA-C-N 127.947 3.874 . . . . 0.0 107.298 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -126.86 156.04 42.01 Favored 'General case' 0 C--N 1.401 2.831 0 C-N-CA 126.036 1.734 . . . . 0.0 110.353 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -147.33 140.88 25.51 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 113.849 -1.523 . . . . 0.0 108.481 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.62 136.1 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-O 124.561 2.124 . . . . 0.0 108.192 169.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -120.23 135.06 55.11 Favored 'General case' 0 C--N 1.364 1.228 0 O-C-N 117.944 -2.972 . . . . 0.0 107.847 160.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.07 143.44 25.0 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 C-N-CA 113.952 -3.099 . . . . 0.0 109.048 -167.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -111.75 143.74 42.18 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 117.378 -1.729 . . . . 0.0 108.66 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.22 124.14 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.04 0 CA-C-O 127.937 3.732 . . . . 0.0 103.639 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -123.73 124.23 42.28 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.028 -175.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.43 89.89 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.292 3.302 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 1 O-C-N 114.682 -5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.514 2.755 0 CA-C-O 119.648 -0.215 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -123.51 124.45 42.88 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 118.314 -2.741 . . . . 0.0 106.583 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -127.58 121.5 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 C-N-CA 127.428 2.291 . . . . 0.0 109.422 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -101.88 120.97 41.24 Favored 'General case' 0 CA--C 1.587 2.371 1 C-N-CA 133.689 4.795 . . . . 0.0 109.138 165.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -114.14 136.59 50.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.2 0 O-C-N 126.913 2.633 . . . . 0.0 108.402 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -139.4 139.15 37.05 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 116.757 -3.715 . . . . 0.0 101.207 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.46 149.61 13.49 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 C-N-CA 117.386 -1.726 . . . . 0.0 108.252 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -149.18 134.3 18.18 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' F' ' 3' ' ' VAL . 61.8 t -134.64 107.23 8.53 Favored 'Isoleucine or valine' 0 C--N 1.373 1.619 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 169.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . 0.462 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 10' ' ' DPR . 13.5 Cg_exo -76.57 -6.51 17.05 Favored 'Trans proline' 0 CA--C 1.464 -2.98 0 CA-C-N 124.074 2.491 . . . . 0.0 113.687 177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.3 m -98.8 105.11 17.22 Favored 'General case' 0 C--O 1.192 -1.929 1 CA-C-N 126.302 4.137 . . . . 0.0 101.051 -169.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -114.91 120.06 38.67 Favored 'General case' 0 C--N 1.383 2.048 0 O-C-N 118.25 -2.781 . . . . 0.0 113.703 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 t -119.03 146.37 23.75 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.641 0 CA-C-N 111.009 -2.814 . . . . 0.0 111.185 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.431 16.1 ptpt -136.22 140.89 43.86 Favored 'General case' 0 N--CA 1.42 -1.962 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 172.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.12 125.46 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.216 0 C-N-CA 125.727 1.611 . . . . 0.0 111.569 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -117.94 110.99 18.38 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 116.722 -3.736 . . . . 0.0 113.398 169.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.91 129.99 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.481 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.305 38.1 mtmt -132.72 120.22 21.38 Favored 'General case' 0 C--N 1.367 1.349 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 168.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.84 -50.62 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.211 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.396 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 1 O-C-N 129.763 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.524 3.245 0 CA-C-O 126.918 3.246 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -89.02 129.8 35.6 Favored 'General case' 0 C--O 1.191 -2.005 0 O-C-N 116.921 -3.612 . . . . 0.0 108.878 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.459 HG22 HG13 ' D' ' 18' ' ' VAL . 95.7 t -126.68 138.5 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 C-N-CA 131.194 3.798 . . . . 0.0 115.913 -175.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -140.76 137.04 33.1 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.14 127.15 65.37 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 O-C-N 127.002 2.689 . . . . 0.0 113.523 171.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -120.3 143.92 48.1 Favored 'General case' 0 C--N 1.382 2.0 0 O-C-N 119.741 -1.85 . . . . 0.0 107.743 170.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.297 8.8 p -142.92 122.45 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.449 -2.906 0 CA-C-O 123.627 1.68 . . . . 0.0 111.622 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -126.61 126.27 43.32 Favored 'General case' 0 C--O 1.2 -1.536 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.441 HG11 HG11 ' G' ' 3' ' ' VAL . 4.2 m -140.31 149.1 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.432 0 C-N-CA 126.443 1.897 . . . . 0.0 109.001 175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -107.46 68.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.517 2.872 0 CA-C-N 123.996 2.463 . . . . 0.0 114.868 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -154.11 142.84 20.92 Favored 'General case' 0 C--N 1.402 2.859 0 CA-C-O 118.15 -0.929 . . . . 0.0 108.985 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -129.78 131.14 46.13 Favored 'General case' 0 N--CA 1.384 -3.742 0 CA-C-N 122.115 2.234 . . . . 0.0 109.838 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . 0.284 44.2 t -131.06 145.37 35.56 Favored 'Isoleucine or valine' 0 C--N 1.409 3.171 0 CA-C-O 122.517 1.151 . . . . 0.0 108.106 169.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.294 54.8 pttt -148.39 133.96 18.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 124.259 1.981 . . . . 0.0 114.486 171.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.44 126.08 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.473 0 CA-C-N 111.266 -2.697 . . . . 0.0 109.995 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -120.26 132.73 55.45 Favored 'General case' 0 C--N 1.377 1.775 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.87 132.02 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 CA-C-O 124.045 1.878 . . . . 0.0 111.744 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -110.16 120.48 42.58 Favored 'General case' 0 C--O 1.207 -1.178 0 C-N-CA 117.657 -1.617 . . . . 0.0 107.143 155.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 28.5 t -70.15 -60.24 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 126.673 1.989 . . . . 0.0 111.955 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.749 0 CA-C-N 119.107 0.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.506 2.344 0 CA-C-O 123.023 1.392 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -105.63 107.9 19.13 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-N 113.654 -1.612 . . . . 0.0 109.672 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.42 4.1 m -94.51 136.55 25.49 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.78 0 O-C-N 119.701 -1.874 . . . . 0.0 114.381 170.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -138.89 155.76 47.83 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 119.005 -1.078 . . . . 0.0 112.488 -166.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 5.6 t -141.1 131.17 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.603 3.019 0 O-C-N 120.124 -1.61 . . . . 0.0 108.24 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -147.26 162.48 38.83 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 10.9 p -166.28 121.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 N-CA-C 102.212 -3.255 . . . . 0.0 102.212 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -118.67 119.74 35.35 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 100.599 -3.852 . . . . 0.0 100.599 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -131.51 96.82 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.613 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -59.2 -30.43 93.0 Favored 'Trans proline' 0 N--CA 1.428 -2.332 0 CA-C-N 126.366 3.309 . . . . 0.0 119.176 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.403 HG23 HG12 ' C' ' 9' ' ' VAL . 46.3 m -82.74 115.66 21.75 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 125.832 1.958 . . . . 0.0 111.313 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -130.37 143.87 51.04 Favored 'General case' 0 N--CA 1.413 -2.319 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.36 139.34 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 117.408 -3.307 . . . . 0.0 106.945 168.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -140.8 128.59 21.71 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 103.783 -2.673 . . . . 0.0 103.783 171.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.97 119.41 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.098 0 C-N-CA 127.038 2.135 . . . . 0.0 111.837 165.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -129.68 121.51 27.11 Favored 'General case' 0 N--CA 1.539 3.987 0 C-N-CA 116.082 -2.247 . . . . 0.0 107.715 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 3' ' ' VAL 0.26 86.5 t -113.79 125.19 71.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.383 1 CA-C-O 129.174 4.321 . . . . 0.0 114.872 175.672 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . 0.385 50.4 tptt -89.34 116.98 27.95 Favored 'General case' 0 C--N 1.387 2.207 0 O-C-N 117.601 -3.187 . . . . 0.0 116.18 168.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.76 110.83 28.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 129.569 3.148 . . . . 0.0 107.042 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.525 0 CA-C-N 112.917 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 1 N--CA 1.558 4.964 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -142.85 144.47 32.51 Favored 'General case' 0 C--N 1.401 2.816 0 N-CA-C 102.254 -3.239 . . . . 0.0 102.254 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.41 118.16 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-O 124.329 2.014 . . . . 0.0 105.757 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -121.14 128.87 52.94 Favored 'General case' 0 N--CA 1.428 -1.549 1 O-C-N 114.551 -5.093 . . . . 0.0 116.429 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -131.34 137.22 56.0 Favored 'Isoleucine or valine' 0 C--O 1.264 1.856 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -136.19 138.49 41.97 Favored 'General case' 0 N--CA 1.4 -2.96 0 O-C-N 121.049 -1.032 . . . . 0.0 108.721 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -131.13 125.85 58.22 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.81 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.456 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -121.04 125.81 48.27 Favored 'General case' 0 C--O 1.203 -1.356 0 O-C-N 124.088 0.868 . . . . 0.0 109.028 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 70.5 t -131.5 123.74 53.16 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.455 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -103.56 -4.4 0.24 Allowed 'Trans proline' 0 C--N 1.39 2.735 0 CA-C-O 125.626 2.261 . . . . 0.0 110.863 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -89.85 111.78 22.92 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 117.777 -3.077 . . . . 0.0 113.23 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -109.4 130.9 55.48 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 125.901 2.763 . . . . 0.0 107.485 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 t -127.43 143.24 41.28 Favored 'Isoleucine or valine' 0 C--O 1.252 1.223 0 N-CA-C 101.565 -3.495 . . . . 0.0 101.565 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -140.65 165.08 28.44 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 166.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.44 116.46 46.66 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 C-N-CA 131.196 3.799 . . . . 0.0 108.737 166.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -118.31 121.35 40.2 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-O 124.901 2.286 . . . . 0.0 113.121 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 45.3 t -125.85 141.95 44.04 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 O-C-N 117.217 -3.427 . . . . 0.0 108.382 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -137.03 145.03 43.55 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 116.973 -3.579 . . . . 0.0 111.612 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 89.8 t -129.93 123.51 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.69 0 O-C-N 125.41 1.694 . . . . 0.0 107.095 172.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -148.57 126.69 12.08 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.409 HG21 ' CG2' ' B' ' 9' ' ' VAL . 25.6 t -127.31 125.83 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.754 0 CA-C-O 122.219 1.009 . . . . 0.0 108.796 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -117.15 131.77 56.81 Favored 'General case' 0 C--O 1.192 -1.949 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.67 139.58 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 O-C-N 117.977 -2.952 . . . . 0.0 103.398 169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -143.75 150.34 38.46 Favored 'General case' 1 CA--C 1.413 -4.31 0 O-C-N 117.206 -3.433 . . . . 0.0 106.905 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . 0.497 HG23 HG22 ' G' ' 14' ' ' VAL . 4.4 p -163.29 145.08 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.362 0 C-N-CA 115.899 -2.321 . . . . 0.0 108.952 -176.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.306 18.3 mttt -117.35 120.39 38.03 Favored 'General case' 0 C--N 1.365 1.269 0 O-C-N 125.646 1.841 . . . . 0.0 112.273 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.48 111.46 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.162 0 N-CA-C 104.095 -2.557 . . . . 0.0 104.095 -158.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . 0.294 61.3 Cg_endo -98.06 11.2 0.94 Allowed 'Trans proline' 0 C--N 1.327 -0.588 1 CA-C-N 129.842 4.551 . . . . 0.0 112.831 169.033 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -91.04 139.31 30.88 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 133.11 54.57 Favored 'General case' 0 C--N 1.372 1.552 0 O-C-N 119.025 -2.297 . . . . 0.0 108.155 169.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.45 137.74 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 116.47 -2.092 . . . . 0.0 113.592 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -128.93 134.03 48.07 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 113.504 -3.141 . . . . 0.0 109.079 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 35.6 t -124.94 136.03 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.477 0 O-C-N 127.242 2.839 . . . . 0.0 109.686 170.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -132.42 124.07 27.93 Favored 'General case' 0 N--CA 1.423 -1.808 1 O-C-N 115.933 -4.23 . . . . 0.0 108.793 169.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 127.15 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.525 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -127.95 104.61 7.9 Favored 'General case' 0 C--O 1.246 0.879 0 O-C-N 120.141 -1.6 . . . . 0.0 107.754 -168.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.39 114.97 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 115.716 1.746 . . . . 0.0 115.716 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.386 2.166 0 O-C-N 120.941 -1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' H' ' 20' ' ' VAL . 42.2 t . . . . . 0 CA--C 1.501 -0.907 0 CA-C-O 115.925 -1.988 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -114.05 139.97 48.84 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 125.926 2.017 . . . . 0.0 109.017 170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.441 HG11 HG11 ' C' ' 9' ' ' VAL . 92.5 t -114.83 114.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 O-C-N 116.533 -3.854 . . . . 0.0 107.352 174.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -115.83 109.71 18.02 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 103.239 -2.874 . . . . 0.0 103.239 -169.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.37 135.3 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.382 0 O-C-N 119.204 -2.185 . . . . 0.0 108.561 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -152.52 155.26 37.1 Favored 'General case' 0 CA--C 1.461 -2.446 0 CA-C-N 120.443 1.474 . . . . 0.0 113.723 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 p -158.18 147.05 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 114.259 -2.781 . . . . 0.0 111.18 -168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -114.17 147.8 38.3 Favored 'General case' 0 CA--C 1.482 -1.647 1 N-CA-C 99.126 -4.398 . . . . 0.0 99.126 174.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -130.59 95.98 2.64 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.767 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -86.87 -4.01 8.09 Favored 'Trans proline' 1 CA--C 1.442 -4.124 2 C-N-CA 125.785 4.323 . . . . 0.0 117.024 -179.12 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.59 126.33 38.69 Favored 'General case' 0 N--CA 1.409 -2.507 0 O-C-N 127.395 2.935 . . . . 0.0 106.123 -166.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -109.92 120.35 42.21 Favored 'General case' 0 C--O 1.197 -1.695 0 O-C-N 125.646 1.842 . . . . 0.0 109.997 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . 0.497 HG22 HG23 ' F' ' 7' ' ' VAL . 68.7 t -123.15 124.82 70.93 Favored 'Isoleucine or valine' 0 C--O 1.262 1.753 0 C-N-CA 129.721 3.209 . . . . 0.0 109.547 -165.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -130.16 134.24 47.17 Favored 'General case' 0 C--N 1.396 2.621 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 t -115.6 130.88 69.48 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.911 0 C-N-CA 127.808 2.443 . . . . 0.0 109.295 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -141.1 121.96 14.45 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 125.222 2.439 . . . . 0.0 114.145 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -118.62 130.98 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-O 124.749 2.214 . . . . 0.0 113.266 -171.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -117.42 109.6 16.98 Favored 'General case' 0 C--N 1.4 2.771 0 O-C-N 117.542 -3.224 . . . . 0.0 105.006 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 m -91.21 16.17 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.974 0 C-N-CA 128.191 2.596 . . . . 0.0 113.471 -168.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.961 0 O-C-N 123.889 0.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -161.34 44.34 0.17 Allowed 'General case' 0 N--CA 1.384 -3.735 0 O-C-N 125.418 1.698 . . . . 0.0 111.517 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.83 130.71 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 C-N-CA 128.033 2.533 . . . . 0.0 112.669 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -145.07 93.18 2.36 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 101.591 -3.485 . . . . 0.0 101.591 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.86 129.71 66.14 Favored 'Isoleucine or valine' 0 C--O 1.264 1.84 0 O-C-N 120.611 -1.306 . . . . 0.0 108.829 -170.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -150.22 114.96 5.28 Favored 'General case' 0 N--CA 1.406 -2.629 0 O-C-N 119.631 -1.918 . . . . 0.0 108.643 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.01 155.27 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.1 0 CA-C-N 122.331 2.332 . . . . 0.0 107.649 -159.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.42 140.16 48.91 Favored 'General case' 0 CA--C 1.481 -1.704 0 O-C-N 118.768 -2.457 . . . . 0.0 113.342 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -140.29 147.21 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.121 176.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -91.62 -19.16 0.83 Allowed 'Trans proline' 0 CA--C 1.502 -1.111 0 CA-C-N 119.019 0.685 . . . . 0.0 113.098 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 61.2 p -92.05 169.75 10.39 Favored 'General case' 0 N--CA 1.426 -1.627 0 C-N-CA 126.08 1.752 . . . . 0.0 112.961 -163.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.97 120.91 18.67 Favored 'General case' 0 CA--C 1.595 2.686 0 O-C-N 118.071 -2.893 . . . . 0.0 105.392 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -122.07 136.85 57.6 Favored 'Isoleucine or valine' 0 C--N 1.4 2.792 0 CA-C-O 126.172 2.891 . . . . 0.0 112.237 -167.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . 0.267 73.6 tttt -134.54 121.06 20.44 Favored 'General case' 0 CA--C 1.459 -2.542 0 O-C-N 117.718 -3.114 . . . . 0.0 111.0 171.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.11 114.0 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.158 1.783 . . . . 0.0 108.859 -170.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.03 140.81 38.22 Favored 'General case' 0 C--N 1.369 1.437 0 O-C-N 119.83 -1.794 . . . . 0.0 112.303 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.41 112.43 12.28 Favored 'Isoleucine or valine' 0 C--N 1.386 2.157 0 CA-C-O 123.868 1.795 . . . . 0.0 107.711 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -117.53 110.16 17.61 Favored 'General case' 0 C--N 1.389 2.296 1 O-C-N 113.565 -5.709 . . . . 0.0 112.729 -171.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 1' ' ' VAL 0.263 23.2 t -82.77 -70.13 0.47 Allowed 'Isoleucine or valine' 1 CA--C 1.637 4.302 0 CA-C-N 112.855 -1.975 . . . . 0.0 109.212 179.508 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.576 0 O-C-N 125.705 1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 124.269 1.985 . . . . 0.0 114.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -113.24 119.31 37.29 Favored 'General case' 0 C--N 1.273 -2.745 0 C-N-CA 130.232 3.413 . . . . 0.0 113.297 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 t -117.45 109.19 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.233 0 C-N-CA 126.917 2.087 . . . . 0.0 114.96 167.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -96.51 132.74 41.79 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.628 -3.17 . . . . 0.0 114.32 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 t -117.22 141.93 33.48 Favored 'Isoleucine or valine' 0 C--O 1.264 1.816 0 N-CA-C 106.274 -1.751 . . . . 0.0 106.274 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.317 77.7 tttt -147.74 132.97 18.39 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-O 118.028 -0.987 . . . . 0.0 112.872 173.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.8 138.65 25.26 Favored 'Isoleucine or valine' 0 C--O 1.253 1.275 0 CA-C-O 122.237 1.018 . . . . 0.0 110.659 -169.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -124.75 133.89 53.0 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 170.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.89 132.77 1.79 Allowed 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 114.728 -2.558 . . . . 0.0 106.532 -171.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -104.49 55.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.387 2.561 0 CA-C-N 127.361 3.665 . . . . 0.0 113.759 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -157.43 161.98 38.96 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 119.54 -1.975 . . . . 0.0 112.516 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -153.87 140.35 18.76 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 128.41 2.684 . . . . 0.0 105.049 -165.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.38 151.78 11.49 Favored 'Isoleucine or valine' 0 C--O 1.164 -3.443 1 O-C-N 116.127 -4.108 . . . . 0.0 105.73 173.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -139.5 137.02 35.15 Favored 'General case' 0 N--CA 1.393 -3.284 0 C-N-CA 127.171 2.188 . . . . 0.0 110.22 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 p -144.84 154.39 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 103.039 -2.948 . . . . 0.0 103.039 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -106.69 124.23 49.3 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.369 -1.457 . . . . 0.0 110.413 165.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.1 t -102.24 115.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -113.0 122.19 46.88 Favored 'General case' 0 C--N 1.297 -1.688 1 O-C-N 115.569 -4.457 . . . . 0.0 102.37 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -114.15 135.77 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-N 112.707 -2.042 . . . . 0.0 109.839 171.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.743 0 CA-C-N 120.426 1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 103.026 -2.953 . . . . 0.0 103.026 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -120.73 113.67 20.53 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 125.237 2.446 . . . . 0.0 105.544 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 4.4 t -108.74 145.95 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 O-C-N 120.459 -1.401 . . . . 0.0 111.257 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -131.31 124.66 30.91 Favored 'General case' 0 C--O 1.286 3.02 0 N-CA-C 104.564 -2.384 . . . . 0.0 104.564 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.515 HG13 HG22 ' C' ' 16' ' ' VAL . 21.6 t -126.42 130.82 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 O-C-N 126.42 2.325 . . . . 0.0 109.815 -172.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -121.02 145.65 47.54 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.288 14.7 p -138.42 135.26 44.11 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 O-C-N 119.276 -2.14 . . . . 0.0 110.112 163.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -124.67 137.29 54.37 Favored 'General case' 0 C--O 1.256 1.439 0 C-N-CA 124.801 1.24 . . . . 0.0 113.336 174.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.12 117.01 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 101.217 -3.623 . . . . 0.0 101.217 163.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.61 -26.08 12.1 Favored 'Trans proline' 0 CA--C 1.491 -1.637 1 CA-C-N 129.585 4.459 . . . . 0.0 116.688 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 m -61.03 122.16 14.26 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 116.044 -2.262 . . . . 0.0 112.502 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -138.88 135.09 34.12 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 125.564 2.602 . . . . 0.0 112.484 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -132.69 129.16 58.29 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.01 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -118.4 139.05 51.99 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 126.342 1.857 . . . . 0.0 110.697 166.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.18 128.98 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 O-C-N 119.647 -1.908 . . . . 0.0 109.897 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -122.91 123.92 42.05 Favored 'General case' 0 CA--C 1.493 -1.214 0 O-C-N 117.265 -3.397 . . . . 0.0 104.03 -166.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -116.14 105.55 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-O 113.848 -2.977 . . . . 0.0 106.5 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -107.23 114.02 27.8 Favored 'General case' 0 CA--C 1.58 2.113 0 O-C-N 127.003 2.689 . . . . 0.0 108.539 168.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 t -91.7 -37.17 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.791 0 CA-C-O 124.228 1.966 . . . . 0.0 106.253 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 113.939 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.374 2.1 t . . . . . 1 CA--C 1.419 -4.071 0 CA-C-O 117.573 -1.203 . . . . 0.0 113.201 . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -117.77 130.17 56.13 Favored 'General case' 0 N--CA 1.389 -3.491 0 C-N-CA 127.011 2.124 . . . . 0.0 109.107 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.65 123.68 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.653 0 CA-C-O 127.468 3.509 . . . . 0.0 110.711 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -123.69 132.5 53.85 Favored 'General case' 0 C--O 1.186 -2.24 1 O-C-N 114.436 -5.165 . . . . 0.0 108.316 -175.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.92 127.06 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.59 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 -163.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -131.67 139.86 49.18 Favored 'General case' 0 C--O 1.192 -1.931 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.291 1.5 p -142.17 126.11 15.71 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.625 0 O-C-N 120.108 -1.62 . . . . 0.0 108.313 170.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -125.2 129.38 49.97 Favored 'General case' 0 C--O 1.177 -2.722 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.58 145.3 13.69 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 CA-C-O 113.184 -3.294 . . . . 0.0 103.702 -170.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -109.56 54.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.288 -2.656 0 C-N-CA 124.404 3.403 . . . . 0.0 109.898 167.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -132.87 133.0 42.73 Favored 'General case' 0 CA--C 1.537 0.458 1 O-C-N 115.447 -4.533 . . . . 0.0 116.115 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -126.85 125.79 42.24 Favored 'General case' 0 N--CA 1.525 3.324 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 63.2 t -126.38 133.48 68.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.386 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.761 171.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -143.64 149.66 37.62 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 120.227 1.376 . . . . 0.0 111.398 165.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . 0.515 HG22 HG13 ' B' ' 5' ' ' VAL . 74.7 t -135.81 128.6 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 110.027 -3.26 . . . . 0.0 107.572 -169.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -120.67 125.18 47.03 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 120.489 1.495 . . . . 0.0 108.742 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.27 129.68 75.24 Favored 'Isoleucine or valine' 0 C--O 1.259 1.585 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -113.38 140.73 47.81 Favored 'General case' 0 CA--C 1.478 -1.815 0 C-N-CA 128.271 2.629 . . . . 0.0 108.219 154.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.82 -74.65 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 C-N-CA 125.802 1.641 . . . . 0.0 109.969 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.255 55.1 t . . . . . 0 CA--C 1.488 -1.409 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -148.77 139.9 23.12 Favored 'General case' 0 C--N 1.39 2.333 0 CA-C-O 126.613 3.101 . . . . 0.0 110.374 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.359 0.2 OUTLIER -136.91 152.82 28.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 118.53 -2.606 . . . . 0.0 115.731 -174.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -139.39 162.19 35.63 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 116.251 -2.179 . . . . 0.0 111.069 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.35 123.08 11.36 Favored 'Isoleucine or valine' 0 C--N 1.364 1.228 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -161.38 156.0 23.17 Favored 'General case' 0 N--CA 1.396 -3.159 0 CA-C-O 123.053 1.406 . . . . 0.0 109.113 -166.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -156.28 137.17 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 C-N-CA 126.28 1.832 . . . . 0.0 111.431 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.417 45.6 mttm -141.39 122.52 14.7 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.414 1.578 . . . . 0.0 106.838 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 50.7 t -123.99 98.32 5.32 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.826 0 N-CA-C 103.469 -2.789 . . . . 0.0 103.469 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -44.47 -46.84 11.66 Favored 'Trans proline' 0 C--N 1.289 -2.575 1 C-N-CA 128.391 6.061 . . . . 0.0 119.302 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -63.57 111.22 2.27 Favored 'General case' 0 N--CA 1.409 -2.516 0 O-C-N 126.481 2.363 . . . . 0.0 111.435 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -141.28 129.89 22.73 Favored 'General case' 0 N--CA 1.39 -3.461 0 O-C-N 118.36 -2.713 . . . . 0.0 115.792 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.71 135.28 48.74 Favored 'Isoleucine or valine' 0 C--N 1.423 3.785 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.632 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -150.99 140.01 21.05 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 118.579 -1.248 . . . . 0.0 111.984 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.278 62.1 t -116.72 145.47 22.42 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.447 0 CA-C-O 115.285 -2.293 . . . . 0.0 106.3 163.336 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -135.59 137.4 41.92 Favored 'General case' 1 N--CA 1.356 -5.16 0 CA-C-O 127.105 3.336 . . . . 0.0 104.281 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -119.31 138.8 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.648 0 O-C-N 117.788 -3.07 . . . . 0.0 105.259 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -121.45 124.79 45.33 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.167 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.71 126.22 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 CA-C-O 126.436 3.017 . . . . 0.0 109.419 -170.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.79 1 O-C-N 115.788 -4.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.568 5.441 0 CA-C-O 122.492 1.139 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.24 118.02 28.53 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.555 -1.341 . . . . 0.0 112.553 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -113.81 127.87 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 119.198 -2.189 . . . . 0.0 108.553 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -142.73 131.36 22.55 Favored 'General case' 0 N--CA 1.412 -2.362 0 CA-C-N 122.343 2.338 . . . . 0.0 111.857 -172.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.75 131.49 72.93 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 127.352 2.261 . . . . 0.0 107.841 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -128.64 134.57 48.58 Favored 'General case' 0 C--O 1.205 -1.273 0 C-N-CA 126.215 1.806 . . . . 0.0 109.316 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.24 123.99 72.44 Favored 'Isoleucine or valine' 0 C--N 1.384 2.09 0 CA-C-N 120.854 1.661 . . . . 0.0 111.041 170.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -116.01 109.16 17.16 Favored 'General case' 0 CA--C 1.495 -1.167 0 O-C-N 118.715 -2.491 . . . . 0.0 105.973 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 99.7 t -117.9 117.03 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.892 0 C-N-CA 127.93 2.492 . . . . 0.0 106.42 170.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -83.76 -5.33 10.69 Favored 'Trans proline' 0 N--CA 1.427 -2.422 0 C-N-CA 124.278 3.319 . . . . 0.0 112.626 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 94.6 m -114.22 111.93 22.33 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 116.962 -3.586 . . . . 0.0 110.162 -169.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -113.49 125.13 53.88 Favored 'General case' 0 CA--C 1.457 -2.621 0 CA-C-N 112.962 -1.926 . . . . 0.0 112.327 166.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.13 134.89 57.38 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.969 0 C-N-CA 125.355 1.462 . . . . 0.0 107.892 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -132.07 149.43 52.41 Favored 'General case' 0 N--CA 1.436 -1.171 1 O-C-N 115.977 -4.202 . . . . 0.0 109.022 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.76 121.17 67.1 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 1 N-CA-C 98.873 -4.492 . . . . 0.0 98.873 173.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -133.84 118.42 17.96 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 119.513 -1.992 . . . . 0.0 114.623 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -127.59 147.62 32.33 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -142.97 159.98 41.22 Favored 'General case' 0 C--O 1.18 -2.6 0 O-C-N 120.092 -1.63 . . . . 0.0 109.44 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -121.37 118.09 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.646 0 N-CA-C 100.272 -3.973 . . . . 0.0 100.272 161.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.402 2.887 0 CA-C-N 113.948 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . 0.354 92.4 t . . . . . 0 C--O 1.269 2.114 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -139.45 136.89 35.1 Favored 'General case' 0 C--N 1.38 1.928 0 O-C-N 125.688 1.868 . . . . 0.0 110.622 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.62 126.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.37 1.488 0 O-C-N 117.24 -3.413 . . . . 0.0 107.631 -173.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -124.86 115.12 20.15 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -110.54 134.97 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -130.0 127.56 40.24 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 118.438 -2.664 . . . . 0.0 105.777 170.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.271 5.3 p -126.96 146.9 32.09 Favored 'Isoleucine or valine' 0 C--N 1.371 1.514 0 C-N-CA 126.511 1.924 . . . . 0.0 109.961 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -114.95 144.04 44.2 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 124.485 2.088 . . . . 0.0 112.977 155.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . 0.267 12.1 t -153.75 128.28 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.467 0 O-C-N 119.38 -2.075 . . . . 0.0 106.996 -168.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -92.83 12.74 1.91 Allowed 'Trans proline' 0 C--O 1.267 1.939 0 C-N-CA 124.252 3.301 . . . . 0.0 113.256 172.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 90.6 m -102.46 122.75 44.95 Favored 'General case' 0 C--O 1.271 2.236 0 CA-C-O 116.894 -1.527 . . . . 0.0 108.155 -166.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 113.07 25.21 Favored 'General case' 0 C--O 1.2 -1.538 0 CA-C-O 116.673 -1.632 . . . . 0.0 106.695 -177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.2 t -116.06 124.88 72.85 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.067 0 C-N-CA 127.646 2.378 . . . . 0.0 107.66 -168.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -120.97 134.5 55.3 Favored 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.58 127.28 68.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 CA-C-O 122.228 1.013 . . . . 0.0 108.369 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -126.54 136.2 52.27 Favored 'General case' 0 CA--C 1.466 -2.26 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.118 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 95.7 t -124.85 128.95 73.58 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 CA-C-O 124.787 2.232 . . . . 0.0 107.92 171.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -124.31 113.92 18.87 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 114.115 -2.85 . . . . 0.0 110.425 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.57 120.1 40.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 C-N-CA 127.103 2.161 . . . . 0.0 110.686 -172.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.41 3.214 0 O-C-N 121.082 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.257 1.468 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -112.61 122.34 47.39 Favored 'General case' 0 C--N 1.409 3.156 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -105.09 131.41 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.959 0 CA-C-N 113.165 -1.834 . . . . 0.0 106.865 171.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -127.12 113.06 15.9 Favored 'General case' 1 N--CA 1.365 -4.683 0 O-C-N 121.193 -0.942 . . . . 0.0 108.488 171.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -118.84 117.04 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.27 0 C-N-CA 126.958 2.103 . . . . 0.0 109.425 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -144.47 165.36 28.19 Favored 'General case' 0 N--CA 1.419 -2.013 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.258 14.8 p -158.47 146.03 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-N 120.312 1.415 . . . . 0.0 108.704 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -111.48 128.54 56.04 Favored 'General case' 0 N--CA 1.472 0.644 1 CA-C-O 129.453 4.454 . . . . 0.0 104.064 172.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t -128.39 111.61 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.706 0 O-C-N 116.889 -3.632 . . . . 0.0 111.417 173.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -98.06 13.2 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.488 2.125 . . . . 0.0 107.54 -169.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 99.0 m -115.95 124.97 51.88 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 126.041 2.088 . . . . 0.0 107.861 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -127.97 127.61 43.56 Favored 'General case' 0 N--CA 1.397 -3.098 0 O-C-N 117.814 -3.054 . . . . 0.0 112.844 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.01 145.06 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.1 0 O-C-N 120.126 -1.609 . . . . 0.0 108.456 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -133.98 131.93 39.54 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.45 129.62 75.06 Favored 'Isoleucine or valine' 0 C--N 1.392 2.45 0 CA-C-N 112.351 -2.204 . . . . 0.0 105.164 170.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -137.31 128.28 27.48 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 126.756 3.17 . . . . 0.0 103.692 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 55.0 t -131.12 128.04 61.54 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.799 1 O-C-N 116.123 -4.11 . . . . 0.0 111.27 -174.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . 0.254 40.8 tttm -110.11 120.61 43.0 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 119.441 -2.037 . . . . 0.0 106.41 162.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -98.85 54.98 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.977 0 O-C-N 116.656 -3.777 . . . . 0.0 111.585 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.622 0 CA-C-N 113.025 -1.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.517 2.887 0 CA-C-O 115.452 -2.213 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -165.91 39.77 0.06 Allowed 'General case' 0 CA--C 1.47 -2.106 0 CA-C-N 123.171 2.714 . . . . 0.0 108.318 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . 0.438 HG23 ' H ' ' H' ' 3' ' ' VAL . 15.1 t -56.14 143.98 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 119.201 3.038 . . . . 0.0 119.201 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' H' ' 4' ' ' LYS . 30.7 mtpt -154.66 43.48 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -78.1 122.41 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.444 0 CA-C-N 121.015 1.734 . . . . 0.0 113.168 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.82 114.82 11.45 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . 0.425 HG22 ' H ' ' H' ' 8' ' ' LYS . 4.4 p -168.82 168.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 118.198 -2.814 . . . . 0.0 106.081 -160.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . 0.425 ' H ' HG22 ' H' ' 7' ' ' VAL . 4.1 ptpt -138.56 141.5 39.25 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 112.304 -2.225 . . . . 0.0 110.345 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 31.8 m -138.01 145.9 27.99 Favored 'Isoleucine or valine' 0 C--O 1.281 2.741 0 O-C-N 118.145 -2.847 . . . . 0.0 109.931 170.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -103.7 21.23 0.14 Allowed 'Trans proline' 0 N--CA 1.486 1.039 0 CA-C-O 112.861 -3.058 . . . . 0.0 110.979 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -113.77 139.51 49.06 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 127.657 3.098 . . . . 0.0 109.39 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -109.19 111.36 22.93 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 119.631 3.197 . . . . 0.0 119.631 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -103.65 132.53 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.024 0 C-N-CA 128.003 2.521 . . . . 0.0 115.378 -163.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -138.49 120.16 15.16 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 118.747 -2.471 . . . . 0.0 112.667 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -117.28 119.26 61.32 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 121.035 1.743 . . . . 0.0 107.243 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -129.72 130.59 45.65 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 118.721 -2.487 . . . . 0.0 113.117 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.65 130.15 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 169.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . 0.29 40.3 tttm -124.37 129.55 50.9 Favored 'General case' 0 CA--C 1.622 3.732 0 C-N-CA 125.982 1.713 . . . . 0.0 106.912 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.345 57.7 t -124.83 -80.79 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 118.059 -2.9 . . . . 0.0 107.337 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.9 1 O-C-N 116.052 -4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.591 2.547 0 N-CA-C 119.809 3.263 . . . . 0.0 119.809 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -132.24 120.14 21.78 Favored 'General case' 0 C--O 1.254 1.3 0 C-N-CA 129.628 3.171 . . . . 0.0 109.124 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.303 76.6 t -129.23 123.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.367 1.355 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -119.81 107.52 13.27 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.829 -1.532 . . . . 0.0 112.521 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 HG11 ' E' ' 5' ' ' VAL . 54.1 t -115.96 128.48 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.109 0 O-C-N 116.661 -3.774 . . . . 0.0 111.764 -167.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' HG3' ' B' ' 15' ' ' LYS . 77.7 tttt -131.01 133.71 46.01 Favored 'General case' 0 N--CA 1.389 -3.498 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.27 134.5 23.18 Favored 'Isoleucine or valine' 0 C--O 1.28 2.675 0 O-C-N 118.78 -2.45 . . . . 0.0 108.656 -168.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -131.01 130.6 43.53 Favored 'General case' 0 N--CA 1.423 -1.807 0 O-C-N 118.112 -2.868 . . . . 0.0 104.721 166.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.09 139.71 17.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 113.478 -3.153 . . . . 0.0 107.249 -159.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -104.23 22.78 0.12 Allowed 'Trans proline' 0 C--N 1.273 -3.439 0 C-N-CA 124.007 3.138 . . . . 0.0 110.583 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.407 3.4 t -136.46 159.55 41.46 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 117.42 -3.3 . . . . 0.0 111.686 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -137.26 136.84 38.43 Favored 'General case' 0 C--O 1.177 -2.748 0 O-C-N 118.773 -2.455 . . . . 0.0 114.013 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 HG22 ' E' ' 18' ' ' VAL . 41.9 t -122.6 138.32 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 CA-C-O 124.754 2.216 . . . . 0.0 106.86 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -132.8 122.04 23.89 Favored 'General case' 0 C--O 1.198 -1.632 0 O-C-N 117.069 -3.519 . . . . 0.0 111.857 160.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -136.54 159.3 37.9 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.399 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.446 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -143.63 145.33 32.4 Favored 'General case' 0 C--O 1.268 2.042 0 O-C-N 125.721 1.888 . . . . 0.0 108.714 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.02 121.13 64.23 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 C-N-CA 125.269 1.428 . . . . 0.0 110.47 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -111.72 106.24 14.97 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-N 122.535 2.425 . . . . 0.0 106.261 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.97 118.35 47.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.813 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 -173.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.906 0 CA-C-N 118.849 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.509 2.491 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -131.0 138.62 49.76 Favored 'General case' 0 C--N 1.389 2.289 0 O-C-N 123.853 0.721 . . . . 0.0 110.074 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.45 129.07 29.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.665 0 C-N-CA 123.969 0.908 . . . . 0.0 111.691 -161.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.298 98.1 mttt -112.59 136.58 51.97 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 117.612 -1.635 . . . . 0.0 112.884 160.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -124.29 135.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 128.99 2.916 . . . . 0.0 109.585 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -149.29 141.0 23.54 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 126.809 2.568 . . . . 0.0 108.872 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.298 7.5 p -151.75 140.78 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.618 3.573 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -150.8 131.24 13.78 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 124.062 1.887 . . . . 0.0 111.78 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -126.01 108.28 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.438 -3.343 0 CA-C-N 113.456 -1.702 . . . . 0.0 110.595 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -76.09 -14.78 18.72 Favored 'Trans proline' 0 C--N 1.293 -2.391 2 C-N-CA 125.684 4.256 . . . . 0.0 115.103 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 50.5 m -69.56 106.68 3.1 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 119.113 -2.242 . . . . 0.0 113.244 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -117.59 126.08 51.91 Favored 'General case' 1 N--CA 1.375 -4.201 0 O-C-N 118.045 -2.909 . . . . 0.0 110.602 -176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 t -135.12 138.11 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 119.612 -1.93 . . . . 0.0 110.06 -171.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.555 ' HG3' ' HB3' ' A' ' 6' ' ' LYS . 17.4 ptpt -140.02 137.85 34.96 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.284 51.0 t -128.6 110.31 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 C-N-CA 123.976 0.91 . . . . 0.0 112.502 -170.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -110.69 132.62 54.04 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.621 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -132.8 118.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.381 1.949 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 -164.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -121.1 126.67 50.38 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 126.537 1.935 . . . . 0.0 110.234 173.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.48 -77.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.811 0 CA-C-N 120.135 1.334 . . . . 0.0 108.535 174.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.04 0 CA-C-N 123.813 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -106.78 123.98 48.95 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 126.325 1.85 . . . . 0.0 109.975 176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.421 HG22 HG22 ' D' ' 18' ' ' VAL . 65.0 t -130.47 135.76 59.87 Favored 'Isoleucine or valine' 0 C--O 1.269 2.096 0 C-N-CA 116.209 -2.196 . . . . 0.0 108.042 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -135.37 125.07 25.31 Favored 'General case' 0 N--CA 1.418 -2.025 0 CA-C-O 124.869 2.271 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.488 HG22 HG13 ' D' ' 16' ' ' VAL . 9.9 t -120.05 130.01 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 116.809 -3.682 . . . . 0.0 110.495 -173.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -124.45 146.22 49.05 Favored 'General case' 1 N--CA 1.377 -4.078 0 N-CA-C 119.254 3.057 . . . . 0.0 119.254 164.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.18 127.95 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.158 0 N-CA-C 103.351 -2.833 . . . . 0.0 103.351 -171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -126.97 131.21 51.11 Favored 'General case' 1 C--N 1.451 5.02 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 169.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -150.24 141.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 C-N-CA 128.389 2.676 . . . . 0.0 107.122 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -107.76 74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.263 -3.944 0 CA-C-N 125.438 2.978 . . . . 0.0 108.65 163.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 54.6 m -154.1 131.28 11.1 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 128.845 2.858 . . . . 0.0 117.871 172.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -103.49 124.05 48.03 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 126.432 3.015 . . . . 0.0 113.108 170.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.37 139.91 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.409 1 O-C-N 113.995 -5.441 . . . . 0.0 112.867 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.393 42.0 pttt -150.33 143.48 24.91 Favored 'General case' 0 C--O 1.193 -1.91 0 O-C-N 118.883 -2.386 . . . . 0.0 113.415 168.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -139.73 139.34 38.11 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.495 0 O-C-N 118.532 -2.605 . . . . 0.0 106.302 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -124.9 134.49 52.66 Favored 'General case' 0 C--O 1.287 3.034 0 CA-C-O 124.922 2.296 . . . . 0.0 107.101 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.66 124.77 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.655 0 CA-C-O 125.36 2.505 . . . . 0.0 108.817 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -106.2 126.64 52.47 Favored 'General case' 0 C--N 1.385 2.118 1 CA-C-O 111.238 -4.22 . . . . 0.0 110.753 154.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 21' ' ' NH2 . 88.4 t -79.09 -101.57 0.01 OUTLIER 'Isoleucine or valine' 1 C--N 1.43 4.066 0 O-C-N 126.704 2.502 . . . . 0.0 110.387 169.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . 0.413 ' N ' HG12 ' C' ' 20' ' ' VAL . . . . . . . . 0 C--N 1.365 1.246 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -134.78 128.58 33.1 Favored 'General case' 0 C--O 1.182 -2.491 0 CA-C-N 119.226 0.921 . . . . 0.0 109.692 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.63 166.56 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-O 123.978 1.847 . . . . 0.0 106.824 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -147.29 145.38 29.36 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 118.324 -2.735 . . . . 0.0 106.183 -158.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.36 115.9 21.2 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.048 1 N-CA-C 98.582 -4.599 . . . . 0.0 98.582 174.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -153.38 128.36 9.61 Favored 'General case' 0 C--N 1.39 2.352 1 O-C-N 115.332 -4.605 . . . . 0.0 116.406 -171.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -133.84 149.08 30.34 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.435 0 O-C-N 128.813 3.821 . . . . 0.0 108.625 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -132.07 120.85 22.92 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 116.431 -1.747 . . . . 0.0 107.752 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.18 98.95 7.1 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 125.986 2.054 . . . . 0.0 110.645 159.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . 0.459 ' HA ' ' HD3' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' D' ' 10' ' ' DPR . 17.5 Cg_exo -64.76 -31.5 58.14 Favored 'Trans proline' 0 C--O 1.264 1.798 0 CA-C-N 123.28 2.207 . . . . 0.0 116.863 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 22.9 m -69.38 114.28 7.47 Favored 'General case' 0 N--CA 1.405 -2.706 0 CA-C-N 121.845 2.111 . . . . 0.0 109.38 171.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -135.24 124.67 24.85 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 112.655 -2.066 . . . . 0.0 111.234 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -132.66 131.56 59.78 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 -170.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -143.26 114.01 7.59 Favored 'General case' 0 CA--C 1.482 -1.662 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.488 HG13 HG22 ' C' ' 5' ' ' VAL . 55.0 t -91.51 141.02 15.09 Favored 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 162.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -134.15 140.59 46.65 Favored 'General case' 0 CA--C 1.461 -2.454 0 O-C-N 126.494 2.371 . . . . 0.0 112.354 165.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.421 HG22 HG22 ' C' ' 3' ' ' VAL . 21.8 t -121.72 145.73 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-O 126.376 2.989 . . . . 0.0 107.087 -174.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -133.16 127.31 33.58 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-O 127.102 3.334 . . . . 0.0 111.105 170.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -119.73 133.91 64.98 Favored 'Isoleucine or valine' 0 C--N 1.378 1.811 0 O-C-N 116.492 -3.88 . . . . 0.0 104.912 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.368 0 O-C-N 118.613 -2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.509 2.485 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -137.13 137.39 39.18 Favored 'General case' 1 C--N 1.449 4.898 0 C-N-CA 126.091 1.756 . . . . 0.0 114.546 -172.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.18 118.93 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 116.975 -1.488 . . . . 0.0 107.661 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -112.99 152.65 29.17 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 123.597 2.908 . . . . 0.0 109.514 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.426 HG11 HG21 ' A' ' 5' ' ' VAL . 68.4 t -140.32 132.21 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 100.932 -3.729 . . . . 0.0 100.932 170.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -128.45 146.27 50.85 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 p -132.91 129.11 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.865 0 CA-C-O 123.187 1.47 . . . . 0.0 114.703 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -116.33 131.41 56.95 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 117.42 -3.3 . . . . 0.0 104.228 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.72 113.07 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.264 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 170.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -112.75 24.02 0.04 OUTLIER 'Trans proline' 0 CA--C 1.576 2.59 0 CA-C-N 127.652 3.769 . . . . 0.0 105.979 -165.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -99.37 111.41 23.78 Favored 'General case' 0 C--O 1.206 -1.223 0 C-N-CA 127.51 2.324 . . . . 0.0 110.228 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -117.04 118.72 33.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 -172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -136.05 139.11 46.41 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 O-C-N 119.02 -2.3 . . . . 0.0 106.739 -164.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -147.06 148.97 32.18 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 118.762 2.875 . . . . 0.0 118.762 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.3 2.3 t -127.29 120.33 54.78 Favored 'Isoleucine or valine' 0 C--N 1.397 2.667 0 CA-C-N 111.788 -2.46 . . . . 0.0 109.717 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -108.87 122.62 47.57 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 130.596 3.558 . . . . 0.0 111.406 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.428 HG22 HG21 ' A' ' 14' ' ' VAL . 75.0 t -123.94 127.12 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 2 CA-C-O 129.159 4.314 . . . . 0.0 100.075 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -120.38 143.78 48.25 Favored 'General case' 0 C--N 1.411 3.246 0 CA-C-N 111.752 -2.476 . . . . 0.0 115.948 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 92.3 t -101.49 113.85 38.98 Favored 'Isoleucine or valine' 0 C--O 1.285 2.931 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 118.946 0.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.517 2.898 0 CA-C-O 121.175 0.512 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -130.31 120.23 24.04 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.004 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.35 131.4 70.19 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.854 0 O-C-N 124.912 1.382 . . . . 0.0 108.4 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -120.2 116.31 25.37 Favored 'General case' 0 N--CA 1.416 -2.17 0 O-C-N 117.155 -3.466 . . . . 0.0 102.42 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.64 116.42 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 1 O-C-N 129.131 4.019 . . . . 0.0 112.316 176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -136.9 136.18 38.44 Favored 'General case' 0 N--CA 1.508 2.464 0 O-C-N 117.29 -3.381 . . . . 0.0 110.303 -169.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.6 149.41 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 126.339 2.274 . . . . 0.0 109.453 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -119.9 124.41 45.96 Favored 'General case' 0 N--CA 1.521 3.082 0 O-C-N 117.736 -3.103 . . . . 0.0 113.675 172.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -129.35 116.06 37.94 Favored 'Isoleucine or valine' 0 C--N 1.386 2.172 0 CA-C-N 121.819 2.1 . . . . 0.0 105.968 -164.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.59 4.02 6.85 Favored 'Trans proline' 0 C--O 1.211 -0.84 1 C-N-CA 126.637 4.892 . . . . 0.0 109.292 176.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . 0.271 5.1 m -105.25 107.67 18.78 Favored 'General case' 0 CA--C 1.485 -1.533 0 O-C-N 118.697 -2.502 . . . . 0.0 114.841 -166.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 115.81 29.88 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 118.399 -2.688 . . . . 0.0 109.474 -171.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -120.68 127.63 75.95 Favored 'Isoleucine or valine' 0 C--O 1.265 1.883 0 O-C-N 124.292 0.995 . . . . 0.0 108.931 -159.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -120.87 112.3 18.63 Favored 'General case' 0 N--CA 1.41 -2.43 0 CA-C-O 115.8 -2.048 . . . . 0.0 111.807 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . 0.284 14.1 t -104.82 134.56 45.88 Favored 'Isoleucine or valine' 0 C--O 1.284 2.88 0 CA-C-O 128.423 3.963 . . . . 0.0 104.563 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -135.94 110.33 8.48 Favored 'General case' 0 C--N 1.399 2.731 1 O-C-N 113.859 -5.525 . . . . 0.0 107.967 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.47 109.78 29.71 Favored 'Isoleucine or valine' 0 C--O 1.286 3.017 1 N-CA-C 99.305 -4.331 . . . . 0.0 99.305 -176.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -107.59 105.14 14.88 Favored 'General case' 0 CA--C 1.443 -3.161 0 O-C-N 117.457 -3.277 . . . . 0.0 113.632 175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -113.44 127.57 70.69 Favored 'Isoleucine or valine' 0 C--O 1.278 2.561 0 CA-C-O 125.309 2.48 . . . . 0.0 114.643 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.299 28.5 t . . . . . 0 CA--C 1.479 -1.758 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -108.71 128.33 54.77 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 116.414 -3.929 . . . . 0.0 117.008 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.97 131.51 68.23 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 C-N-CA 124.239 1.016 . . . . 0.0 113.259 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -133.77 116.95 16.35 Favored 'General case' 0 C--O 1.265 1.92 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.79 131.95 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.377 0 CA-C-O 117.215 -1.374 . . . . 0.0 112.744 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -157.82 147.33 19.92 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 116.997 -1.881 . . . . 0.0 111.251 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 p -151.8 143.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.394 2.522 0 C-N-CA 126.184 1.793 . . . . 0.0 111.865 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.321 44.3 mmtm -106.4 122.64 46.68 Favored 'General case' 0 C--N 1.396 2.624 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.529 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -115.51 99.41 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.95 0 CA-C-O 112.311 -3.709 . . . . 0.0 112.699 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . 0.406 ' HG2' ' HB2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -89.58 -4.67 5.56 Favored 'Trans proline' 0 N--CA 1.423 -2.651 0 O-C-N 126.194 2.681 . . . . 0.0 106.407 -174.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -99.83 141.7 32.28 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 124.002 3.092 . . . . 0.0 110.628 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -116.07 135.71 53.69 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-O 115.983 -1.961 . . . . 0.0 105.955 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . 0.257 83.1 t -122.22 135.55 61.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.23 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 172.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -131.01 127.43 38.32 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 126.09 1.756 . . . . 0.0 114.068 166.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 71.8 t -120.15 122.18 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -123.04 108.52 12.99 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-O 117.587 -1.197 . . . . 0.0 112.609 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.09 122.64 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 116.76 2.134 . . . . 0.0 116.76 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -90.53 84.3 5.94 Favored 'General case' 0 N--CA 1.404 -2.751 0 O-C-N 119.113 -2.242 . . . . 0.0 112.329 169.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 m -85.41 -13.81 11.06 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.508 0 CA-C-O 128.194 3.854 . . . . 0.0 114.682 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.843 0 O-C-N 118.708 -2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.497 -1.063 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . 0.324 25.1 pttt -166.71 37.06 0.04 OUTLIER 'General case' 0 C--O 1.242 0.671 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 -160.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 131.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.362 1.135 0 C-N-CA 125.698 1.599 . . . . 0.0 114.631 -169.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -149.36 59.96 1.03 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 118.889 -2.382 . . . . 0.0 104.787 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.85 129.29 44.42 Favored 'Isoleucine or valine' 0 C--N 1.401 2.817 0 O-C-N 116.952 -3.592 . . . . 0.0 107.985 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -143.27 131.19 21.61 Favored 'General case' 0 CA--C 1.431 -3.597 0 CA-C-O 126.119 2.866 . . . . 0.0 107.023 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -176.15 140.97 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.042 1 O-C-N 114.521 -5.112 . . . . 0.0 114.01 -161.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -111.04 133.99 52.98 Favored 'General case' 0 C--N 1.376 1.737 1 O-C-N 115.688 -4.383 . . . . 0.0 108.849 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.5 135.37 43.86 Favored 'Isoleucine or valine' 0 C--O 1.259 1.579 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.303 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . 0.493 ' HA ' ' HD2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' H' ' 10' ' ' DPR . 40.8 Cg_endo -93.19 -5.58 2.93 Favored 'Trans proline' 0 N--CA 1.422 -2.688 0 CA-C-N 123.376 2.241 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 72.0 p -78.09 151.89 33.18 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.655 2.382 . . . . 0.0 116.147 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -134.73 129.77 35.2 Favored 'General case' 0 C--O 1.272 2.256 0 O-C-N 118.06 -2.9 . . . . 0.0 108.422 163.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -128.77 139.06 52.89 Favored 'Isoleucine or valine' 0 C--N 1.4 2.766 0 O-C-N 119.397 -2.065 . . . . 0.0 112.11 -162.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -135.48 128.21 31.01 Favored 'General case' 0 CA--C 1.473 -1.991 0 C-N-CA 115.087 -2.645 . . . . 0.0 113.22 167.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.6 123.29 71.53 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 1 O-C-N 116.22 -4.05 . . . . 0.0 103.396 -170.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -145.89 132.24 19.6 Favored 'General case' 0 C--N 1.415 3.452 0 O-C-N 120.463 -1.398 . . . . 0.0 114.661 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -140.4 128.41 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.84 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 171.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -122.94 137.5 54.93 Favored 'General case' 0 C--N 1.426 3.893 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.96 -56.73 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.426 0 C-N-CA 128.366 2.666 . . . . 0.0 107.69 166.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 115.291 -2.29 . . . . 0.0 108.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -118.31 142.23 47.71 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 125.903 2.763 . . . . 0.0 111.702 170.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.91 131.66 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.365 1 O-C-N 115.317 -4.614 . . . . 0.0 116.34 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -118.64 131.26 56.17 Favored 'General case' 0 C--O 1.194 -1.829 0 O-C-N 116.628 -3.795 . . . . 0.0 108.204 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -127.34 117.81 48.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 CA-C-O 117.112 -1.423 . . . . 0.0 108.178 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -124.42 134.97 52.93 Favored 'General case' 1 C--O 1.147 -4.31 0 CA-C-N 119.261 0.937 . . . . 0.0 110.872 174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG13 ' HB ' ' A' ' 14' ' ' VAL . 2.6 p -141.34 137.85 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.729 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -111.8 131.21 55.48 Favored 'General case' 0 C--O 1.205 -1.27 0 CA-C-O 124.793 2.235 . . . . 0.0 109.159 153.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -145.42 142.92 22.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 112.871 -3.442 . . . . 0.0 107.24 -167.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -108.85 40.69 0.02 OUTLIER 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 123.379 2.72 . . . . 0.0 106.121 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -142.68 165.71 26.64 Favored 'General case' 0 C--O 1.273 2.33 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -142.1 138.1 31.44 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -164.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HB ' HG13 ' A' ' 7' ' ' VAL . 5.4 t -146.93 128.87 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 -160.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -148.51 129.24 14.17 Favored 'General case' 0 C--N 1.401 2.831 1 O-C-N 115.439 -4.538 . . . . 0.0 102.595 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -143.46 150.03 17.75 Favored 'Isoleucine or valine' 0 C--N 1.385 2.146 0 O-C-N 121.505 -0.747 . . . . 0.0 110.58 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -114.9 127.55 55.77 Favored 'General case' 0 C--N 1.4 2.77 0 CA-C-O 125.143 2.402 . . . . 0.0 106.96 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.55 121.4 65.67 Favored 'Isoleucine or valine' 0 C--N 1.378 1.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.863 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.309 80.6 tttt -133.6 127.54 33.28 Favored 'General case' 0 C--N 1.409 3.153 0 CA-C-O 123.855 1.788 . . . . 0.0 110.224 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.98 101.66 9.11 Favored 'Isoleucine or valine' 0 C--N 1.391 2.404 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.351 -177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.552 0 CA-C-N 118.81 0.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.433 HG12 HG13 ' F' ' 9' ' ' VAL . 77.8 t . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . 0.255 59.2 mttp -126.65 119.4 26.91 Favored 'General case' 0 CA--C 1.596 2.727 0 O-C-N 118.341 -2.724 . . . . 0.0 107.96 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.436 HG21 HG22 ' F' ' 9' ' ' VAL . 89.5 t -120.06 130.44 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 CA-C-N 112.572 -2.104 . . . . 0.0 108.025 -168.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.44 133.55 52.94 Favored 'General case' 0 C--N 1.419 3.624 0 C-N-CA 125.128 1.371 . . . . 0.0 109.871 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.71 132.41 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-O 115.24 -2.314 . . . . 0.0 111.162 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -142.83 128.86 19.63 Favored 'General case' 1 C--N 1.442 4.615 0 CA-C-N 120.507 1.503 . . . . 0.0 109.636 -171.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.1 p -129.64 136.71 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.004 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.061 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -124.59 127.37 47.28 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 126.313 1.845 . . . . 0.0 112.709 171.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.9 t -122.51 110.92 28.23 Favored 'Isoleucine or valine' 0 C--N 1.403 2.902 0 O-C-N 120.403 -1.435 . . . . 0.0 110.063 171.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -77.54 -20.32 12.34 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 CA-C-N 123.93 2.439 . . . . 0.0 116.575 -175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.1 m -71.17 123.23 21.69 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 126.242 2.214 . . . . 0.0 110.468 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -131.81 121.16 23.66 Favored 'General case' 0 CA--C 1.595 2.691 0 CA-C-O 123.499 1.618 . . . . 0.0 110.194 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.21 143.72 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 O-C-N 117.232 -3.417 . . . . 0.0 111.595 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -143.74 139.2 29.33 Favored 'General case' 0 N--CA 1.399 -2.978 1 O-C-N 115.606 -4.434 . . . . 0.0 110.449 171.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.266 16.6 t -126.36 133.3 69.08 Favored 'Isoleucine or valine' 0 C--N 1.384 2.097 0 C-N-CA 125.158 1.383 . . . . 0.0 113.051 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -116.08 132.46 56.65 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 127.912 2.485 . . . . 0.0 112.562 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.99 140.68 48.37 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.178 0 N-CA-C 100.462 -3.903 . . . . 0.0 100.462 175.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -135.93 137.26 41.17 Favored 'General case' 0 C--O 1.188 -2.161 0 C-N-CA 130.079 3.352 . . . . 0.0 107.015 161.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -92.0 -70.83 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.23 0 CA-C-O 125.027 2.346 . . . . 0.0 110.588 -172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.472 0 O-C-N 120.322 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 N--CA 1.531 3.608 0 CA-C-O 118.187 -0.911 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.444 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 54.4 mtmt -125.73 138.17 53.85 Favored 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 124.375 2.036 . . . . 0.0 109.897 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.436 HG21 HG13 ' G' ' 9' ' ' VAL . 61.5 t -139.37 132.96 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 113.224 -1.807 . . . . 0.0 111.839 -172.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' C' ' 17' ' ' LYS . 26.8 mttp -124.0 146.8 48.28 Favored 'General case' 0 CA--C 1.565 1.542 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 38.9 t -125.07 130.73 73.1 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.617 0 O-C-N 126.27 2.231 . . . . 0.0 107.659 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -124.9 127.82 47.69 Favored 'General case' 0 N--CA 1.393 -3.286 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.556 HG13 ' HB ' ' C' ' 14' ' ' VAL 0.273 1.6 p -131.82 123.8 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 167.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -128.02 108.53 10.75 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.358 1.863 . . . . 0.0 112.21 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.548 HG12 HG23 ' D' ' 12' ' ' THR . 34.1 m -144.69 140.29 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.689 0 O-C-N 119.89 -1.756 . . . . 0.0 108.648 -171.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -107.09 53.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.204 -1.182 1 CA-C-N 131.024 4.973 . . . . 0.0 106.766 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 55.3 m -141.83 134.86 28.97 Favored 'General case' 0 C--N 1.379 1.857 0 C-N-CA 118.386 -1.326 . . . . 0.0 112.615 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . 0.253 48.8 mtmt -122.86 137.99 54.78 Favored 'General case' 0 C--O 1.254 1.341 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.612 168.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.556 ' HB ' HG13 ' C' ' 7' ' ' VAL . 44.5 t -126.2 132.82 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.408 0 C-N-CA 128.793 2.837 . . . . 0.0 110.6 173.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.385 40.5 pttt -136.55 146.25 45.94 Favored 'General case' 0 C--O 1.197 -1.695 1 O-C-N 112.937 -6.102 . . . . 0.0 111.1 171.057 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . 0.424 HG12 HG23 ' C' ' 18' ' ' VAL . 44.0 t -142.43 145.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.387 2.219 0 N-CA-C 102.669 -3.086 . . . . 0.0 102.669 -173.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' C' ' 4' ' ' LYS . 91.4 mttt -129.01 113.25 14.93 Favored 'General case' 0 N--CA 1.415 -2.21 0 CA-C-N 113.29 -1.777 . . . . 0.0 106.273 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.424 HG23 HG12 ' C' ' 16' ' ' VAL . 83.7 t -111.2 130.53 64.5 Favored 'Isoleucine or valine' 0 C--O 1.259 1.563 1 O-C-N 114.755 -4.966 . . . . 0.0 105.964 -176.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.444 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 26.7 tttt -114.24 125.46 53.93 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 117.863 -3.023 . . . . 0.0 104.375 154.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -68.44 -93.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.164 168.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.958 0 O-C-N 118.836 -2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.536 3.864 0 CA-C-O 121.668 0.747 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -120.75 149.04 43.15 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 115.623 1.712 . . . . 0.0 115.623 169.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -142.78 157.98 18.39 Favored 'Isoleucine or valine' 0 C--N 1.387 2.213 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.165 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -138.05 151.86 48.26 Favored 'General case' 0 N--CA 1.402 -2.874 0 CA-C-O 123.031 1.396 . . . . 0.0 110.498 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.77 128.27 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.566 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -147.08 143.28 28.21 Favored 'General case' 0 C--O 1.178 -2.663 0 O-C-N 119.578 -1.951 . . . . 0.0 112.579 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.38 130.86 29.2 Favored 'Isoleucine or valine' 0 C--O 1.282 2.775 0 O-C-N 117.605 -3.184 . . . . 0.0 112.291 163.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.269 34.3 mttm -128.78 115.98 18.78 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -175.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.69 102.88 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 101.424 -3.547 . . . . 0.0 101.424 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -60.86 -19.84 63.83 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 CA-C-N 127.763 3.808 . . . . 0.0 113.826 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.548 HG23 HG12 ' C' ' 9' ' ' VAL 0.256 6.4 m -101.58 111.09 23.22 Favored 'General case' 0 CA--C 1.436 -3.412 0 CA-C-O 125.012 2.339 . . . . 0.0 108.335 -162.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -125.68 129.06 48.81 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.354 -173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -124.18 145.32 31.51 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 CA-C-O 122.113 0.959 . . . . 0.0 111.369 166.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -148.22 141.05 24.68 Favored 'General case' 0 C--N 1.394 2.503 0 CA-C-O 123.35 1.548 . . . . 0.0 109.516 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.08 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 167.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.321 47.2 pttt -131.9 141.06 49.25 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 116.961 -3.587 . . . . 0.0 111.07 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.68 134.33 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.719 0 CA-C-O 116.995 -1.479 . . . . 0.0 109.669 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -106.94 120.86 43.2 Favored 'General case' 0 C--O 1.262 1.73 0 C-N-CA 129.418 3.087 . . . . 0.0 112.142 159.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -117.28 106.94 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.509 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 164.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.221 0 CA-C-N 111.735 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . 0.421 HG13 HG22 ' F' ' 20' ' ' VAL . 54.8 t . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 113.787 -3.006 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -144.25 143.36 30.99 Favored 'General case' 0 N--CA 1.414 -2.268 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.84 133.53 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 167.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . 0.451 98.9 mttt -123.1 129.75 51.87 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 129.466 3.106 . . . . 0.0 107.259 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.19 136.17 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.898 0 N-CA-C 103.271 -2.863 . . . . 0.0 103.271 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -143.39 150.75 39.54 Favored 'General case' 0 N--CA 1.433 -1.321 0 O-C-N 119.693 -1.879 . . . . 0.0 108.198 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 12.8 p -126.38 146.19 32.63 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.438 0 CA-C-N 110.87 -2.877 . . . . 0.0 108.914 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 13' ' ' LYS . 36.8 mtmt -129.98 108.33 10.02 Favored 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.696 3.198 . . . . 0.0 114.697 169.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.86 116.74 52.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 O-C-N 126.54 2.4 . . . . 0.0 109.097 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -87.5 -0.69 7.5 Favored 'Trans proline' 1 N--CA 1.394 -4.327 0 CA-C-N 122.563 1.951 . . . . 0.0 111.689 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -94.49 119.84 33.81 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-O 126.699 3.143 . . . . 0.0 112.548 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' E' ' 8' ' ' LYS . 42.5 mtmt -111.01 122.44 47.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 118.084 -2.885 . . . . 0.0 115.133 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.06 131.14 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 1 O-C-N 116.257 -4.027 . . . . 0.0 110.143 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . 0.273 47.0 pttt -114.98 146.12 41.54 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 116.663 -3.773 . . . . 0.0 116.602 168.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 39.1 t -119.83 124.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -133.19 128.66 36.46 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 122.647 2.476 . . . . 0.0 108.471 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.468 HG21 HG11 ' A' ' 7' ' ' VAL . 4.1 t -124.11 127.15 73.28 Favored 'Isoleucine or valine' 0 C--O 1.246 0.918 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -114.68 172.96 6.71 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 125.178 2.418 . . . . 0.0 109.766 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -85.4 124.88 40.39 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 CA-C-N 112.767 -2.015 . . . . 0.0 110.225 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 120.621 1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 CA--C 1.577 1.994 0 CA-C-O 118.969 -0.539 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.351 48.3 mttp -139.82 139.17 36.3 Favored 'General case' 0 C--O 1.286 3.022 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.517 169.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.504 HG22 HG13 ' G' ' 18' ' ' VAL . 19.4 t -131.8 130.49 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.975 0 C-N-CA 125.074 1.35 . . . . 0.0 110.565 -169.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -126.84 110.58 13.22 Favored 'General case' 0 CA--C 1.432 -3.563 0 CA-C-N 119.451 1.023 . . . . 0.0 111.406 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -108.86 110.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 1 C-N-CA 132.284 4.234 . . . . 0.0 108.143 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -128.15 138.76 52.63 Favored 'General case' 0 C--O 1.27 2.176 0 O-C-N 125.827 1.955 . . . . 0.0 107.982 -172.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.96 144.16 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 125.229 2.443 . . . . 0.0 109.524 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -117.16 127.77 54.45 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 116.679 -3.763 . . . . 0.0 112.035 165.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . 0.436 HG22 HG21 ' B' ' 3' ' ' VAL . 65.0 t -131.81 117.72 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 CA-C-N 112.332 -2.213 . . . . 0.0 109.411 -171.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -95.3 21.17 0.51 Allowed 'Trans proline' 0 CA--C 1.489 -1.766 0 O-C-N 116.277 -2.538 . . . . 0.0 108.573 -169.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 99.4 m -132.74 131.63 41.4 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 128.312 3.911 . . . . 0.0 109.724 -162.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 129.04 50.4 Favored 'General case' 0 C--O 1.194 -1.864 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.774 -172.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 t -125.16 128.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 C-N-CA 131.134 3.774 . . . . 0.0 112.179 -168.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.473 84.3 mttt -118.89 138.87 52.46 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 112.957 -1.928 . . . . 0.0 111.457 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.4 t -129.1 117.02 42.73 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 CA-C-O 116.192 -1.861 . . . . 0.0 110.889 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.36 134.5 44.34 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 129.327 3.051 . . . . 0.0 113.155 163.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.277 23.2 t -121.8 117.53 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 C-N-CA 129.102 2.961 . . . . 0.0 112.938 168.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -127.78 118.96 24.7 Favored 'General case' 0 C--N 1.37 1.48 0 N-CA-C 102.866 -3.012 . . . . 0.0 102.866 -164.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.421 HG22 HG13 ' E' ' 1' ' ' VAL . 80.2 t -129.78 115.02 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 125.655 1.582 . . . . 0.0 111.618 177.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.669 0 O-C-N 118.562 -2.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.516 2.868 0 CA-C-O 126.784 3.183 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -99.38 131.28 45.5 Favored 'General case' 0 C--O 1.257 1.494 1 O-C-N 113.693 -5.629 . . . . 0.0 106.634 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.422 HG21 HG21 ' C' ' 9' ' ' VAL . 74.0 t -110.25 141.56 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-O 124.444 2.069 . . . . 0.0 107.309 172.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -141.91 134.9 28.87 Favored 'General case' 0 N--CA 1.406 -2.656 0 O-C-N 119.248 -2.157 . . . . 0.0 105.819 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -141.33 136.2 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 CA-C-O 126.64 3.114 . . . . 0.0 104.218 -176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -149.09 148.03 29.2 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 125.106 2.384 . . . . 0.0 112.173 173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.07 148.9 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 116.51 -2.076 . . . . 0.0 109.186 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mmtm -106.94 128.76 54.61 Favored 'General case' 0 CA--C 1.469 -2.141 0 O-C-N 117.587 -3.196 . . . . 0.0 110.337 169.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . 0.436 HG13 HG21 ' C' ' 3' ' ' VAL . 5.0 t -121.42 114.27 42.53 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 116.661 -3.774 . . . . 0.0 109.824 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -104.22 35.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.282 -2.973 0 CA-C-N 126.62 3.4 . . . . 0.0 104.402 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.33 2.3 m -122.38 140.26 52.89 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.88 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -126.67 124.31 39.56 Favored 'General case' 0 C--N 1.3 -1.551 1 O-C-N 114.935 -4.853 . . . . 0.0 107.97 178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -115.6 135.03 56.95 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.731 0 O-C-N 125.944 2.028 . . . . 0.0 107.469 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -133.19 134.98 44.79 Favored 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 127.884 2.473 . . . . 0.0 115.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.59 123.88 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.268 0 N-CA-C 101.215 -3.624 . . . . 0.0 101.215 -169.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -135.5 124.87 24.79 Favored 'General case' 0 CA--C 1.608 3.189 0 CA-C-O 124.194 1.949 . . . . 0.0 108.291 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.504 HG13 HG22 ' F' ' 3' ' ' VAL . 4.9 t -127.7 125.22 64.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.099 0 O-C-N 118.03 -2.919 . . . . 0.0 112.448 -170.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -99.04 113.79 26.15 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.918 -1.739 . . . . 0.0 110.236 163.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.18 0.28 2.95 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.807 0 CA-C-O 125.703 2.668 . . . . 0.0 115.663 -176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.461 0 O-C-N 119.157 -2.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.504 2.272 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -138.08 48.13 1.99 Allowed 'General case' 0 N--CA 1.414 -2.253 0 C-N-CA 126.165 1.786 . . . . 0.0 111.759 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.3 123.96 11.33 Favored 'Isoleucine or valine' 0 C--O 1.275 2.4 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.899 170.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -148.57 46.76 1.04 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -78.3 123.42 35.11 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 C-N-CA 125.975 1.71 . . . . 0.0 115.614 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -128.19 108.45 10.63 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.417 -2.23 . . . . 0.0 111.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -158.93 156.81 3.57 Favored 'Isoleucine or valine' 0 C--N 1.4 2.77 0 CA-C-N 122.773 2.533 . . . . 0.0 112.447 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.312 11.2 ptpt -102.66 149.45 24.43 Favored 'General case' 0 CA--C 1.608 3.211 0 CA-C-N 121.432 1.924 . . . . 0.0 110.137 167.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 6.5 m -142.55 137.34 28.42 Favored 'Isoleucine or valine' 0 C--N 1.371 1.534 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -83.27 -7.0 11.03 Favored 'Trans proline' 0 CA--C 1.468 -2.785 0 CA-C-N 123.696 2.356 . . . . 0.0 114.025 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 39.2 p -114.96 134.28 55.31 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 124.828 1.33 . . . . 0.0 114.35 -159.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -110.79 132.64 54.03 Favored 'General case' 0 CA--C 1.461 -2.453 1 C-N-CA 133.724 4.809 . . . . 0.0 106.897 -168.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.11 135.98 49.75 Favored 'Isoleucine or valine' 1 CA--C 1.419 -4.063 0 C-N-CA 125.449 1.5 . . . . 0.0 114.399 -173.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -121.09 145.08 48.17 Favored 'General case' 0 C--N 1.383 2.056 0 O-C-N 117.533 -3.229 . . . . 0.0 110.96 155.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 t -137.5 119.45 18.78 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 O-C-N 127.199 2.812 . . . . 0.0 104.531 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -120.6 137.15 54.57 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 117.406 -3.309 . . . . 0.0 114.927 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.77 116.71 5.49 Favored 'Isoleucine or valine' 0 C--N 1.373 1.609 0 CA-C-O 123.879 1.8 . . . . 0.0 106.376 171.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -132.11 133.06 43.87 Favored 'General case' 0 N--CA 1.527 3.392 0 O-C-N 116.956 -3.59 . . . . 0.0 104.332 -166.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -105.34 -66.57 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.608 0 CA-C-O 123.168 1.461 . . . . 0.0 108.673 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.888 0 O-C-N 117.484 -3.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.639 0.257 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -130.9 127.82 39.29 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 128.712 2.805 . . . . 0.0 110.297 163.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.64 127.51 66.79 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 N-CA-C 103.121 -2.918 . . . . 0.0 103.121 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -114.91 125.33 53.52 Favored 'General case' 0 CA--C 1.476 -1.894 0 C-N-CA 124.904 1.282 . . . . 0.0 109.716 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.95 119.79 61.23 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 CA-C-N 121.792 2.087 . . . . 0.0 106.202 -170.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -134.07 134.28 42.15 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 117.558 -3.214 . . . . 0.0 107.932 173.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -139.88 145.29 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-O 124.143 1.925 . . . . 0.0 107.791 -176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.39 130.55 50.96 Favored 'General case' 0 C--O 1.196 -1.754 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 165.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 12' ' ' THR . 2.9 p -148.78 147.51 16.7 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-O 113.601 -3.095 . . . . 0.0 104.208 -164.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -109.33 32.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.43 -2.23 0 C-N-CA 124.07 3.18 . . . . 0.0 112.131 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 9' ' ' VAL . 9.9 t -135.11 167.6 20.66 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 126.343 1.857 . . . . 0.0 109.821 -172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -149.99 151.71 33.76 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 118.831 -2.418 . . . . 0.0 108.931 -165.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -153.24 112.99 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.853 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 -175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -124.81 139.55 53.74 Favored 'General case' 0 N--CA 1.434 -1.226 0 O-C-N 117.568 -3.207 . . . . 0.0 109.606 166.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.291 2.6 p -157.15 137.5 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.176 0 N-CA-C 101.116 -3.661 . . . . 0.0 101.116 -163.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -105.06 147.87 27.4 Favored 'General case' 0 C--N 1.408 3.111 1 O-C-N 115.078 -4.764 . . . . 0.0 107.769 165.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.02 138.68 54.12 Favored 'Isoleucine or valine' 0 C--N 1.362 1.145 0 O-C-N 120.653 -1.279 . . . . 0.0 110.807 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.82 139.62 32.77 Favored 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 116.296 -1.811 . . . . 0.0 111.104 -177.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.73 139.09 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.404 0 O-C-N 117.835 -3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 19' ' ' LYS . 55.8 mttp -120.9 131.72 54.54 Favored 'General case' 0 C--O 1.258 1.54 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.481 HG22 HG13 ' C' ' 18' ' ' VAL . 54.0 t -133.24 128.46 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 119.04 -2.288 . . . . 0.0 106.86 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -118.83 127.44 53.52 Favored 'General case' 0 C--O 1.166 -3.324 0 O-C-N 119.91 -1.744 . . . . 0.0 110.561 160.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.5 t -105.91 124.86 61.34 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.901 0 C-N-CA 128.36 2.664 . . . . 0.0 104.474 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -129.11 135.1 48.44 Favored 'General case' 0 C--N 1.369 1.449 0 CA-C-N 122.734 2.515 . . . . 0.0 111.666 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.59 143.54 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.559 0 CA-C-O 123.194 1.473 . . . . 0.0 108.667 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -125.96 128.93 48.28 Favored 'General case' 1 N--CA 1.377 -4.108 0 O-C-N 118.484 -2.635 . . . . 0.0 112.031 167.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.2 t -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.382 1.993 0 N-CA-C 103.651 -2.722 . . . . 0.0 103.651 171.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -70.23 -31.28 18.71 Favored 'Trans proline' 0 CA--C 1.56 1.798 0 CA-C-N 125.5 3.0 . . . . 0.0 115.75 169.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.6 m -68.13 119.7 13.14 Favored 'General case' 0 CA--C 1.471 -2.067 0 C-N-CA 126.597 1.959 . . . . 0.0 108.672 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -122.76 136.99 55.05 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 124.47 2.081 . . . . 0.0 106.19 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.28 128.07 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.89 0 CA-C-O 116.825 -1.56 . . . . 0.0 109.977 -169.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -125.51 127.44 46.44 Favored 'General case' 0 N--CA 1.421 -1.884 0 CA-C-N 121.485 1.948 . . . . 0.0 110.682 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 67.7 t -129.87 122.41 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.46 134.17 54.81 Favored 'General case' 0 C--O 1.262 1.733 0 N-CA-C 100.362 -3.94 . . . . 0.0 100.362 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.2 124.94 61.45 Favored 'Isoleucine or valine' 0 C--O 1.262 1.718 0 CA-C-O 124.802 2.239 . . . . 0.0 106.719 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' B' ' 2' ' ' LYS . 37.3 mtmt -140.16 150.55 44.36 Favored 'General case' 0 C--O 1.251 1.176 0 O-C-N 117.607 -3.183 . . . . 0.0 108.366 177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -91.77 -61.79 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 CA-C-N 112.701 -2.045 . . . . 0.0 108.948 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 119.57 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . 0.466 HG13 HG22 ' D' ' 20' ' ' VAL . 38.2 t . . . . . 0 N--CA 1.522 3.145 0 CA-C-O 117.187 -1.387 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.438 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 86.7 mttt -136.15 113.91 11.11 Favored 'General case' 0 C--O 1.288 3.127 0 N-CA-C 103.774 -2.676 . . . . 0.0 103.774 -163.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.51 HG21 HG13 ' G' ' 9' ' ' VAL . 26.6 t -123.54 122.65 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.545 0 O-C-N 117.213 -3.429 . . . . 0.0 110.274 -166.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -137.98 137.12 37.6 Favored 'General case' 0 CA--C 1.602 2.945 0 CA-C-N 122.461 2.391 . . . . 0.0 108.119 -172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.615 HG22 HG13 ' D' ' 16' ' ' VAL . 83.6 t -126.59 124.14 64.59 Favored 'Isoleucine or valine' 0 C--N 1.404 2.975 0 C-N-CA 126.992 2.117 . . . . 0.0 111.812 -165.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -123.04 129.02 50.96 Favored 'General case' 0 N--CA 1.412 -2.35 0 CA-C-O 126.601 3.096 . . . . 0.0 104.886 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.54 122.43 57.42 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.075 0 CA-C-O 125.235 2.445 . . . . 0.0 110.424 164.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -111.3 121.28 44.85 Favored 'General case' 0 C--O 1.186 -2.28 0 O-C-N 118.813 -2.429 . . . . 0.0 106.035 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.579 HG12 HG23 ' D' ' 12' ' ' THR 0.287 1.7 m -140.53 143.63 28.78 Favored 'Isoleucine or valine' 0 C--O 1.26 1.613 0 CA-C-O 116.391 -1.766 . . . . 0.0 107.195 -174.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -105.25 61.48 0.02 OUTLIER 'Trans proline' 0 C--O 1.209 -0.944 0 CA-C-O 124.393 1.747 . . . . 0.0 107.844 168.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -152.65 137.81 17.38 Favored 'General case' 0 CA--C 1.543 0.675 1 O-C-N 113.432 -5.792 . . . . 0.0 105.144 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -128.75 123.86 34.07 Favored 'General case' 0 N--CA 1.424 -1.735 0 CA-C-N 112.803 -1.998 . . . . 0.0 114.885 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.47 136.16 51.96 Favored 'Isoleucine or valine' 0 C--O 1.264 1.851 0 O-C-N 119.733 -1.854 . . . . 0.0 109.392 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -139.59 140.25 36.99 Favored 'General case' 0 C--N 1.425 3.872 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 158.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.66 126.79 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.592 0 CA-C-N 113.275 -1.784 . . . . 0.0 109.355 -164.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -114.79 111.0 20.57 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.875 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.481 HG13 HG22 ' B' ' 3' ' ' VAL . 24.5 t -115.34 126.17 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 1 O-C-N 116.092 -4.13 . . . . 0.0 111.884 -175.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -122.83 128.14 50.01 Favored 'General case' 0 C--N 1.379 1.886 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.3 56.5 t -72.02 -62.15 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 126.669 3.128 . . . . 0.0 110.817 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.095 0 O-C-N 116.927 -3.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . 0.311 42.9 pttt -125.64 120.63 31.27 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-O 127.796 3.665 . . . . 0.0 107.478 161.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.43 160.83 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 116.402 -3.936 . . . . 0.0 108.048 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -136.25 171.56 14.29 Favored 'General case' 0 C--N 1.378 1.816 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 91.1 t -119.52 124.16 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.475 0 C-N-CA 130.491 3.516 . . . . 0.0 106.515 165.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . 0.28 8.1 pttp -135.43 140.44 44.91 Favored 'General case' 0 CA--C 1.445 -3.085 0 N-CA-C 103.19 -2.892 . . . . 0.0 103.19 172.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -142.9 129.11 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.633 0 C-N-CA 125.076 1.351 . . . . 0.0 110.263 162.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -133.16 120.9 21.79 Favored 'General case' 1 C--N 1.43 4.066 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 -172.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -135.7 102.16 3.24 Favored 'Isoleucine or valine' 0 C--O 1.289 3.167 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . 0.488 ' HA ' ' HD2' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' HA ' ' D' ' 10' ' ' DPR . 59.6 Cg_endo -80.71 -1.77 11.47 Favored 'Trans proline' 0 N--CA 1.425 -2.517 0 CA-C-O 114.154 -2.519 . . . . 0.0 110.678 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.579 HG23 HG12 ' C' ' 9' ' ' VAL . 86.4 m -100.71 120.71 40.49 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 122.481 2.401 . . . . 0.0 111.796 171.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -141.13 123.1 15.46 Favored 'General case' 1 CA--C 1.394 -5.036 0 C-N-CA 126.746 2.018 . . . . 0.0 109.208 -172.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.536 HG11 HG21 ' H' ' 16' ' ' VAL 0.305 33.8 t -129.44 137.22 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.542 0 N-CA-C 103.273 -2.862 . . . . 0.0 103.273 -178.118 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -139.67 144.82 37.78 Favored 'General case' 0 N--CA 1.397 -3.11 0 C-N-CA 125.975 1.71 . . . . 0.0 111.419 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.615 HG13 HG22 ' C' ' 5' ' ' VAL . 15.2 t -133.46 121.08 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.476 0 N-CA-C 105.65 -1.982 . . . . 0.0 105.65 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -121.56 140.94 51.58 Favored 'General case' 0 C--O 1.262 1.713 0 C-N-CA 117.94 -1.504 . . . . 0.0 110.309 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.422 HG13 HG22 ' C' ' 3' ' ' VAL . 2.9 t -126.74 115.28 41.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 125.582 2.61 . . . . 0.0 115.002 -168.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.438 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 21.1 tptt -115.86 120.85 40.57 Favored 'General case' 0 C--O 1.194 -1.824 1 O-C-N 116.179 -4.076 . . . . 0.0 103.348 -169.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.466 HG22 HG13 ' C' ' 1' ' ' VAL . 74.5 t -131.95 130.85 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.298 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -177.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 O-C-N 119.171 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 79.1 t . . . . . 0 N--CA 1.523 3.186 0 CA-C-O 121.034 0.445 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -132.85 129.28 38.25 Favored 'General case' 0 CA--C 1.571 1.782 0 O-C-N 118.746 -2.471 . . . . 0.0 108.916 174.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.36 130.99 61.41 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.204 0 O-C-N 119.525 -1.984 . . . . 0.0 106.002 166.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -129.42 135.27 48.46 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 125.638 1.836 . . . . 0.0 106.53 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -131.67 125.29 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 N-CA-C 100.635 -3.839 . . . . 0.0 100.635 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -127.32 143.01 51.31 Favored 'General case' 0 N--CA 1.393 -3.295 0 O-C-N 119.097 -2.252 . . . . 0.0 109.284 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.63 134.25 66.39 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.242 0 CA-C-N 122.492 2.405 . . . . 0.0 110.135 168.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . 0.264 24.7 mtmt -121.0 122.25 39.73 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-O 116.173 -1.87 . . . . 0.0 108.057 171.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.91 117.87 23.54 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -96.15 -1.44 2.01 Favored 'Trans proline' 0 C--N 1.372 1.788 0 CA-C-N 126.571 3.382 . . . . 0.0 104.6 -166.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -90.23 136.01 33.32 Favored 'General case' 0 N--CA 1.4 -2.945 0 C-N-CA 128.119 2.568 . . . . 0.0 110.832 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.273 36.7 mtmm -122.79 127.17 48.76 Favored 'General case' 0 C--O 1.271 2.223 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.495 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.28 141.41 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 118.479 -2.638 . . . . 0.0 105.389 174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -145.4 148.31 33.2 Favored 'General case' 0 C--N 1.323 -0.563 1 O-C-N 114.477 -5.139 . . . . 0.0 118.962 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.19 127.12 75.13 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.208 0 C-N-CA 125.947 1.699 . . . . 0.0 107.26 168.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -108.14 147.64 30.99 Favored 'General case' 0 C--O 1.279 2.627 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 160.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.47 137.67 43.37 Favored 'Isoleucine or valine' 0 C--O 1.251 1.137 0 O-C-N 127.016 2.697 . . . . 0.0 110.801 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -144.08 164.45 30.62 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 101.437 -3.542 . . . . 0.0 101.437 -164.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.12 117.21 33.92 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 166.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.198 0 O-C-N 118.902 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.274 2.352 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -115.72 137.37 52.15 Favored 'General case' 0 C--N 1.37 1.484 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.67 118.84 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.501 0 CA-C-O 127.553 3.549 . . . . 0.0 108.962 -171.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -125.8 124.77 41.7 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 119.229 -2.169 . . . . 0.0 113.294 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 51.2 t -118.06 119.38 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -118.77 133.85 55.55 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-O 127.287 3.422 . . . . 0.0 108.004 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . 0.418 ' HB ' HG13 ' G' ' 14' ' ' VAL . 10.3 p -141.48 147.56 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 O-C-N 118.366 -2.709 . . . . 0.0 103.814 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.55 113.54 21.44 Favored 'General case' 1 N--CA 1.36 -4.943 0 CA-C-N 113.618 -1.628 . . . . 0.0 108.579 175.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 93.9 t -124.71 95.18 3.11 Favored 'Isoleucine or valine' 0 C--N 1.379 1.863 0 CA-C-O 117.052 -1.451 . . . . 0.0 111.797 -169.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -62.4 -11.71 24.11 Favored 'Trans proline' 0 CA--C 1.456 -3.408 1 O-C-N 111.953 -4.814 . . . . 0.0 118.264 177.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . 0.509 HG22 HG23 ' F' ' 14' ' ' VAL . 19.2 m -110.55 114.89 28.65 Favored 'General case' 0 CA--C 1.449 -2.915 0 O-C-N 119.819 -1.801 . . . . 0.0 110.048 -162.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 111.39 23.77 Favored 'General case' 0 C--N 1.397 2.665 0 C-N-CA 130.805 3.642 . . . . 0.0 109.881 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . 0.509 HG23 HG22 ' F' ' 12' ' ' THR . 47.6 t -114.3 131.2 67.03 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.094 0 O-C-N 125.925 2.016 . . . . 0.0 110.389 -171.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.374 78.5 mttt -126.91 115.31 19.09 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 126.896 3.236 . . . . 0.0 104.71 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.31 139.94 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 118.112 -2.867 . . . . 0.0 107.432 170.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -131.04 123.68 29.24 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 119.003 -2.311 . . . . 0.0 106.893 172.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 t -118.18 129.13 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.715 0 O-C-N 118.725 -2.484 . . . . 0.0 104.631 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -121.29 122.37 39.73 Favored 'General case' 0 N--CA 1.415 -2.209 0 O-C-N 119.629 -1.919 . . . . 0.0 113.956 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -126.43 137.88 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.639 0 O-C-N 120.736 -1.227 . . . . 0.0 108.923 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 123.802 0.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . 0.277 8.9 t . . . . . 0 CA--C 1.483 -1.596 0 CA-C-O 123.041 1.401 . . . . 0.0 114.677 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -114.01 124.07 51.24 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.496 -174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.554 HG22 HG13 ' H' ' 18' ' ' VAL . 65.4 t -116.47 132.53 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.314 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -138.85 124.66 19.77 Favored 'General case' 0 CA--C 1.464 -2.331 0 O-C-N 118.096 -2.878 . . . . 0.0 108.515 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.76 134.73 66.08 Favored 'Isoleucine or valine' 0 C--N 1.371 1.504 0 C-N-CA 126.773 2.029 . . . . 0.0 111.632 169.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . 0.428 ' HE2' ' HD3' ' H' ' 15' ' ' LYS . 56.2 pttt -143.05 154.57 44.1 Favored 'General case' 0 CA--C 1.617 3.527 0 CA-C-N 114.479 -1.237 . . . . 0.0 111.243 174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . 0.577 HG23 HG22 ' H' ' 14' ' ' VAL . 7.2 p -149.24 146.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 O-C-N 119.834 -1.791 . . . . 0.0 106.842 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -101.94 111.97 24.43 Favored 'General case' 0 CA--C 1.478 -1.801 0 O-C-N 118.982 -2.324 . . . . 0.0 109.259 167.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . 0.51 HG13 HG21 ' C' ' 3' ' ' VAL . 94.4 t -120.15 110.42 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 -166.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -70.39 -10.64 28.51 Favored 'Trans proline' 0 C--O 1.274 2.323 0 CA-C-N 124.392 2.604 . . . . 0.0 113.812 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.313 3.1 m -82.4 136.87 34.87 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.538 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -113.23 117.64 32.44 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.767 0.827 . . . . 0.0 109.869 173.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . 0.418 HG13 ' HB ' ' F' ' 7' ' ' VAL . 0.8 OUTLIER -110.26 132.34 58.86 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.149 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 179.818 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -134.08 119.5 19.0 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 120.833 3.642 . . . . 0.0 120.833 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -108.13 136.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 0 O-C-N 118.026 -2.921 . . . . 0.0 110.705 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -136.3 126.15 25.76 Favored 'General case' 1 N--CA 1.374 -4.26 0 O-C-N 119.114 -2.241 . . . . 0.0 111.38 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.17 129.91 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -99.86 108.13 20.31 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 117.459 -3.276 . . . . 0.0 107.848 155.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . 0.281 20.2 m -75.58 -27.39 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.12 0 N-CA-C 118.153 2.649 . . . . 0.0 118.153 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.208 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -147.8 26.9 1.0 Allowed 'General case' 0 N--CA 1.405 -2.679 0 C-N-CA 127.535 2.334 . . . . 0.0 107.156 -164.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.58 114.25 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.269 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.712 -173.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . 0.3 88.1 mttt -126.98 37.66 4.24 Favored 'General case' 0 N--CA 1.388 -3.551 0 C-N-CA 127.355 2.262 . . . . 0.0 109.161 -163.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.5 133.47 31.76 Favored 'Isoleucine or valine' 0 C--N 1.398 2.674 0 C-N-CA 126.243 1.817 . . . . 0.0 111.354 -167.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -147.47 112.56 5.49 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 123.496 1.617 . . . . 0.0 108.651 164.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 p -146.84 163.29 8.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 112.027 -2.351 . . . . 0.0 113.468 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -125.64 132.7 52.41 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.22 131.88 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 125.578 1.551 . . . . 0.0 108.786 175.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -94.94 5.5 2.36 Favored 'Trans proline' 0 CA--C 1.452 -3.621 0 C-N-CA 124.575 3.516 . . . . 0.0 115.912 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 81.4 p -116.66 133.19 56.31 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 117.325 2.342 . . . . 0.0 117.325 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.259 82.5 tttt -84.62 121.23 27.34 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 128.776 2.831 . . . . 0.0 112.545 170.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . 0.577 HG22 HG23 ' G' ' 7' ' ' VAL . 41.9 t -132.46 141.67 44.58 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 CA-C-O 125.294 2.473 . . . . 0.0 109.999 -169.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' HE2' ' G' ' 6' ' ' LYS . 75.5 tttt -148.35 129.41 14.49 Favored 'General case' 0 C--O 1.289 3.144 0 C-N-CA 114.932 -2.707 . . . . 0.0 109.032 -175.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . 0.536 HG21 HG11 ' D' ' 14' ' ' VAL . 52.6 t -126.21 131.91 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.521 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -134.84 124.67 25.44 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.554 HG13 HG22 ' G' ' 3' ' ' VAL . 5.7 t -130.02 119.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.418 3.564 0 O-C-N 117.896 -3.002 . . . . 0.0 110.142 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -123.76 134.99 53.56 Favored 'General case' 0 N--CA 1.514 2.749 0 O-C-N 117.391 -3.318 . . . . 0.0 109.419 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.35 -48.07 14.38 Favored 'Isoleucine or valine' 0 C--N 1.406 3.025 0 C-N-CA 129.821 3.248 . . . . 0.0 109.692 174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.791 0 O-C-N 119.191 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.526 3.357 0 CA-C-O 125.367 2.508 . . . . 0.0 115.615 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -118.33 130.8 56.23 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 125.643 2.639 . . . . 0.0 107.345 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.08 120.81 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.44 1 O-C-N 114.467 -5.145 . . . . 0.0 105.24 173.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -105.12 132.85 50.82 Favored 'General case' 0 N--CA 1.419 -2.013 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.861 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.6 133.3 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.295 0 CA-C-O 124.648 2.166 . . . . 0.0 105.728 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -135.5 131.84 36.56 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 127.748 2.419 . . . . 0.0 112.985 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 7.5 p -148.67 130.45 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.886 0 O-C-N 121.045 -1.035 . . . . 0.0 112.865 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.49 138.92 50.53 Favored 'General case' 0 N--CA 1.399 -2.983 0 CA-C-O 126.641 3.115 . . . . 0.0 106.309 163.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -148.93 147.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.651 2 N-CA-C 97.043 -5.169 . . . . 0.0 97.043 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -93.27 48.17 0.36 Allowed 'Trans proline' 0 N--CA 1.4 -3.995 0 CA-C-N 123.42 2.257 . . . . 0.0 115.368 173.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 10.0 t -131.23 151.06 51.85 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 126.603 3.097 . . . . 0.0 112.939 168.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.37 136.68 31.68 Favored 'General case' 0 C--N 1.373 1.613 1 O-C-N 116.236 -4.04 . . . . 0.0 111.653 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.7 t -146.67 134.25 14.83 Favored 'Isoleucine or valine' 0 C--N 1.408 3.142 0 O-C-N 126.375 2.297 . . . . 0.0 105.836 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -133.97 134.2 42.25 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.15 147.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.38 1.912 0 CA-C-N 122.448 2.385 . . . . 0.0 110.538 -170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -130.51 125.69 34.94 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 118.002 -2.937 . . . . 0.0 114.581 -176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.6 110.61 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 111.994 -2.366 . . . . 0.0 109.474 -172.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -118.17 114.25 22.76 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 127.611 3.577 . . . . 0.0 110.372 -176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.8 t -104.7 115.22 46.18 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.905 0 CA-C-N 110.949 -2.841 . . . . 0.0 108.88 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.581 0 CA-C-N 118.534 0.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 N--CA 1.513 2.68 0 N-CA-C 117.667 2.469 . . . . 0.0 117.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -106.38 121.87 45.12 Favored 'General case' 0 C--O 1.193 -1.897 0 CA-C-O 114.019 -2.896 . . . . 0.0 112.557 -170.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.469 HG22 HG13 ' C' ' 18' ' ' VAL . 24.2 t -146.23 149.62 15.99 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 O-C-N 126.449 2.343 . . . . 0.0 113.795 -169.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -141.89 150.68 41.84 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 115.843 -2.027 . . . . 0.0 110.964 -176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -124.41 140.77 46.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -147.37 135.0 21.0 Favored 'General case' 0 CA--C 1.48 -1.748 1 O-C-N 112.667 -6.271 . . . . 0.0 105.2 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -155.06 149.27 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.101 0 C-N-CA 114.393 -2.923 . . . . 0.0 111.896 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -146.26 135.94 23.22 Favored 'General case' 0 N--CA 1.399 -3.024 0 C-N-CA 117.336 -1.746 . . . . 0.0 106.973 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.587 HG13 HG11 ' F' ' 1' ' ' VAL . 53.1 t -127.42 103.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 -175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -59.89 -40.28 64.21 Favored 'Trans proline' 0 N--CA 1.51 2.482 0 CA-C-N 126.98 3.529 . . . . 0.0 116.197 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.2 m -68.63 140.39 55.5 Favored 'General case' 0 N--CA 1.536 3.863 0 C-N-CA 125.573 1.549 . . . . 0.0 112.186 -170.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -150.27 130.52 13.66 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.396 -2.065 . . . . 0.0 114.488 -166.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.43 139.26 52.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.805 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -134.17 138.47 45.19 Favored 'General case' 0 CA--C 1.598 2.792 0 O-C-N 120.212 -1.555 . . . . 0.0 109.221 161.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.92 132.03 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.097 0 N-CA-C 101.361 -3.57 . . . . 0.0 101.361 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -115.06 130.57 56.97 Favored 'General case' 0 CA--C 1.565 1.544 0 O-C-N 119.531 -1.981 . . . . 0.0 112.573 174.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -113.2 138.25 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -145.64 156.22 43.52 Favored 'General case' 0 C--N 1.388 2.25 0 O-C-N 119.788 -1.82 . . . . 0.0 110.4 161.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.06 -62.81 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.524 0 C-N-CA 124.787 1.235 . . . . 0.0 109.403 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.617 0 O-C-N 117.244 -3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--O 1.244 0.812 0 CA-C-O 125.332 2.491 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -133.88 134.98 43.35 Favored 'General case' 0 CA--C 1.591 2.554 0 O-C-N 117.663 -3.148 . . . . 0.0 108.498 173.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.6 139.33 51.67 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.311 0 C-N-CA 125.297 1.439 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -126.59 133.33 51.07 Favored 'General case' 0 C--O 1.196 -1.723 0 CA-C-O 124.241 1.972 . . . . 0.0 106.847 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -126.18 135.07 64.93 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.903 0 O-C-N 119.225 -2.172 . . . . 0.0 113.197 -171.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -138.56 144.48 39.88 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 121.691 2.041 . . . . 0.0 112.886 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.532 HG23 HG22 ' D' ' 14' ' ' VAL . 6.4 p -141.91 127.04 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.695 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.905 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -131.13 110.75 11.39 Favored 'General case' 0 CA--C 1.446 -3.031 0 O-C-N 118.765 -2.459 . . . . 0.0 109.955 -175.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.66 130.23 31.52 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.963 0 CA-C-N 121.422 1.919 . . . . 0.0 109.056 -172.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -108.98 78.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.289 -2.58 0 CA-C-N 125.439 2.978 . . . . 0.0 111.255 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . 0.262 97.0 m -167.02 130.41 1.84 Allowed 'General case' 0 CA--C 1.476 -1.866 1 C-N-CA 134.107 4.963 . . . . 0.0 106.466 169.264 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -122.12 111.04 16.51 Favored 'General case' 0 C--O 1.159 -3.679 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.5 137.59 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.745 0 CA-C-O 115.509 -2.186 . . . . 0.0 113.18 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.319 4.9 pttm -140.73 142.32 34.81 Favored 'General case' 0 CA--C 1.479 -1.76 0 CA-C-N 122.16 2.254 . . . . 0.0 111.446 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.47 142.69 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -125.54 137.81 53.94 Favored 'General case' 0 CA--C 1.464 -2.363 0 O-C-N 120.279 -1.513 . . . . 0.0 109.744 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 3' ' ' VAL . 2.8 t -133.63 140.04 47.52 Favored 'Isoleucine or valine' 0 C--O 1.272 2.268 0 O-C-N 126.074 2.109 . . . . 0.0 108.487 -173.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -125.22 130.38 51.98 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 126.29 1.836 . . . . 0.0 111.981 168.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.3 -70.27 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.396 -3.166 0 CA-C-O 126.311 2.958 . . . . 0.0 112.622 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 112.205 -2.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -126.3 123.76 38.79 Favored 'General case' 0 C--O 1.172 -3.01 0 O-C-N 120.0 -1.688 . . . . 0.0 110.281 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.96 155.0 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.692 0 C-N-CA 125.299 1.44 . . . . 0.0 109.636 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -138.05 162.57 33.82 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.58 132.11 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 101.864 -3.384 . . . . 0.0 101.864 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -150.06 139.89 21.82 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.441 2.067 . . . . 0.0 110.081 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -133.05 137.73 53.06 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 110.041 -3.254 . . . . 0.0 112.519 164.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -134.98 125.34 26.41 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.503 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.49 101.83 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 169.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.36 -23.79 9.81 Favored 'Trans proline' 0 C--N 1.292 -2.423 0 CA-C-N 124.928 2.796 . . . . 0.0 111.35 -170.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . 0.289 11.8 m -67.61 112.71 4.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 166.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -135.64 130.15 33.92 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 118.292 -2.755 . . . . 0.0 111.934 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.532 HG22 HG23 ' C' ' 7' ' ' VAL . 47.4 t -128.48 143.17 41.87 Favored 'Isoleucine or valine' 1 C--N 1.435 4.307 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 176.211 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -140.84 122.65 15.37 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -124.54 133.08 70.32 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.911 1 N-CA-C 98.555 -4.609 . . . . 0.0 98.555 169.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -136.53 131.43 33.88 Favored 'General case' 0 C--O 1.282 2.766 0 CA-C-O 124.17 1.938 . . . . 0.0 105.816 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.74 129.85 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 C-N-CA 127.907 2.483 . . . . 0.0 106.95 -166.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -117.57 109.47 16.74 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 129.635 3.174 . . . . 0.0 107.421 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.5 139.39 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.915 0 O-C-N 126.911 2.632 . . . . 0.0 109.602 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.094 0 O-C-N 117.003 -3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.502 2.135 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -123.04 125.59 45.5 Favored 'General case' 0 N--CA 1.416 -2.173 0 O-C-N 117.92 -2.987 . . . . 0.0 107.742 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . 0.253 2.8 t -115.45 111.68 36.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.452 0 C-N-CA 131.644 3.977 . . . . 0.0 107.828 168.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -122.52 125.95 46.8 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 111.924 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -118.63 131.61 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-O 123.843 1.783 . . . . 0.0 109.248 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -145.84 138.17 25.5 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.571 -2.581 . . . . 0.0 115.853 -169.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.26 134.67 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 117.856 -3.027 . . . . 0.0 107.244 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -125.34 140.09 53.11 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 122.929 1.347 . . . . 0.0 110.839 170.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -145.17 123.35 5.13 Favored 'Isoleucine or valine' 0 C--N 1.401 2.806 1 N-CA-C 97.958 -4.83 . . . . 0.0 97.958 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -97.99 15.82 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 CA-C-N 120.491 1.211 . . . . 0.0 110.543 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -92.17 120.22 32.55 Favored 'General case' 0 C--O 1.266 1.927 0 O-C-N 120.383 -1.448 . . . . 0.0 110.472 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -121.12 109.85 15.5 Favored 'General case' 0 N--CA 1.413 -2.29 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.682 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 133.23 68.54 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.608 0 O-C-N 117.591 -3.193 . . . . 0.0 104.18 -170.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -139.3 128.1 23.41 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 127.106 2.754 . . . . 0.0 112.573 -171.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.1 t -115.94 125.61 73.13 Favored 'Isoleucine or valine' 0 C--N 1.395 2.554 1 O-C-N 115.717 -4.364 . . . . 0.0 102.792 -167.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -125.74 144.17 50.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 117.03 -3.544 . . . . 0.0 106.791 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -145.4 143.05 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.243 0 CA-C-N 111.291 -2.686 . . . . 0.0 108.307 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -134.81 164.35 27.76 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 129.969 3.308 . . . . 0.0 111.286 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 52.5 t -79.18 126.04 38.8 Favored 'Isoleucine or valine' 0 CA--C 1.627 3.907 0 CA-C-O 127.734 3.635 . . . . 0.0 114.0 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.58 0 CA-C-N 110.038 -3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . 0.587 HG11 HG13 ' B' ' 9' ' ' VAL . 45.5 t . . . . . 0 CA--C 1.557 1.221 0 CA-C-O 114.605 -2.617 . . . . 0.0 112.104 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.256 56.6 mttp -133.88 137.37 44.92 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-N 124.06 3.118 . . . . 0.0 106.286 173.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.78 114.34 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.781 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.398 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -112.59 106.08 14.42 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 125.21 2.433 . . . . 0.0 109.372 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . 0.435 HG13 HG22 ' G' ' 16' ' ' VAL . 19.9 t -106.76 129.86 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.134 0 O-C-N 117.425 -3.297 . . . . 0.0 104.651 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -129.27 141.74 51.03 Favored 'General case' 0 C--N 1.405 2.979 0 O-C-N 116.801 -3.687 . . . . 0.0 113.29 173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . 0.404 HG21 HG11 ' B' ' 3' ' ' VAL . 4.1 p -143.13 136.49 25.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 122.391 1.091 . . . . 0.0 109.277 175.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -110.22 128.49 55.53 Favored 'General case' 0 N--CA 1.418 -2.065 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -126.08 109.65 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 112.449 -2.16 . . . . 0.0 107.699 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -98.54 -6.55 0.71 Allowed 'Trans proline' 0 N--CA 1.401 -3.959 0 C-N-CA 124.936 3.757 . . . . 0.0 111.398 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.04 107.76 20.32 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 130.926 3.691 . . . . 0.0 109.128 -174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 113.8 27.08 Favored 'General case' 0 CA--C 1.476 -1.901 0 CA-C-O 122.678 1.228 . . . . 0.0 113.773 168.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.89 131.52 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.542 0 CA-C-O 125.362 2.506 . . . . 0.0 109.252 -165.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -116.81 128.33 55.18 Favored 'General case' 0 CA--C 1.606 3.128 0 O-C-N 119.091 -2.255 . . . . 0.0 116.896 166.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.82 128.99 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 106.268 -1.752 . . . . 0.0 106.268 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -121.89 125.32 46.16 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.71 -3.119 . . . . 0.0 111.515 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -114.05 108.29 25.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 125.711 1.604 . . . . 0.0 114.022 170.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -112.2 116.69 30.85 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-O 128.451 3.976 . . . . 0.0 110.595 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.87 124.64 59.19 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 O-C-N 118.689 -2.507 . . . . 0.0 106.843 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 CA-C-N 114.915 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 118.416 2.747 . . . . 0.0 118.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -105.8 134.01 49.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.823 1.649 . . . . 0.0 111.616 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.55 125.03 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 O-C-N 128.63 3.706 . . . . 0.0 109.851 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -126.25 102.06 7.02 Favored 'General case' 0 N--CA 1.527 3.425 0 CA-C-O 126.592 3.092 . . . . 0.0 112.763 -171.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.38 128.29 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 CA-C-N 111.57 -2.559 . . . . 0.0 105.876 -171.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -147.86 160.39 42.82 Favored 'General case' 0 N--CA 1.426 -1.626 0 O-C-N 120.269 -1.52 . . . . 0.0 113.81 174.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.61 135.1 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.606 3.123 0 C-N-CA 125.54 1.536 . . . . 0.0 109.327 -165.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -98.58 119.7 37.76 Favored 'General case' 0 N--CA 1.407 -2.625 0 CA-C-N 112.45 -2.159 . . . . 0.0 115.877 165.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 73.6 t -129.64 107.03 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 117.918 -2.989 . . . . 0.0 105.101 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -94.61 8.78 2.04 Favored 'Trans proline' 0 CA--C 1.577 2.65 1 CA-C-N 128.99 4.246 . . . . 0.0 102.938 -176.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 126.56 42.12 Favored 'General case' 0 C--N 1.288 -2.091 0 C-N-CA 128.355 2.662 . . . . 0.0 112.762 -175.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -116.84 125.38 51.48 Favored 'General case' 0 C--N 1.401 2.815 0 O-C-N 119.164 -2.21 . . . . 0.0 109.631 -171.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -122.27 137.65 55.11 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.175 0 O-C-N 117.136 -3.477 . . . . 0.0 107.049 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -131.23 125.01 31.79 Favored 'General case' 0 C--O 1.261 1.671 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.435 HG22 HG13 ' F' ' 5' ' ' VAL . 52.8 t -120.94 141.81 39.78 Favored 'Isoleucine or valine' 0 C--O 1.291 3.289 0 N-CA-C 102.235 -3.246 . . . . 0.0 102.235 172.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -134.84 120.75 19.71 Favored 'General case' 0 N--CA 1.402 -2.837 0 C-N-CA 127.079 2.152 . . . . 0.0 105.768 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.24 133.2 69.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-N 122.299 2.318 . . . . 0.0 113.097 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -121.39 110.18 15.78 Favored 'General case' 0 N--CA 1.397 -3.08 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -89.64 -8.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.825 0 O-C-N 125.06 1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.6 t . . . . . 0 CA--C 1.571 1.751 0 CA-C-O 117.339 -1.315 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -147.73 52.56 1.04 Allowed 'General case' 0 N--CA 1.537 3.907 0 CA-C-N 122.058 2.208 . . . . 0.0 105.691 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . 0.307 11.0 t -56.96 123.75 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.325 0 O-C-N 116.7 -3.75 . . . . 0.0 114.848 174.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -137.61 7.25 2.77 Favored 'General case' 0 C--O 1.265 1.918 1 CA-C-O 111.251 -4.214 . . . . 0.0 108.02 -176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -48.15 119.52 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.764 0 CA-C-O 126.212 2.91 . . . . 0.0 113.587 -175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -146.35 113.88 6.36 Favored 'General case' 0 CA--C 1.452 -2.823 0 O-C-N 117.408 -3.307 . . . . 0.0 109.712 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.08 158.45 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.707 0 CA-C-O 125.835 2.731 . . . . 0.0 108.497 -156.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -129.47 152.93 48.47 Favored 'General case' 0 CA--C 1.601 2.916 0 O-C-N 117.28 -3.387 . . . . 0.0 104.229 162.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 m -148.7 143.45 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . 0.406 ' HA ' ' HD2' ' H' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' H' ' 10' ' ' DPR . 67.4 Cg_endo -69.02 0.55 4.93 Favored 'Trans proline' 0 C--N 1.362 1.281 1 C-N-CA 125.752 4.301 . . . . 0.0 115.019 177.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 25.8 p -124.83 138.41 54.26 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 121.627 2.012 . . . . 0.0 112.142 -162.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -112.08 135.32 52.87 Favored 'General case' 0 C--N 1.396 2.627 0 C-N-CA 128.086 2.554 . . . . 0.0 111.338 -173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -135.15 142.52 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 128.484 2.714 . . . . 0.0 110.663 -164.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -143.81 135.55 26.25 Favored 'General case' 0 C--O 1.267 1.981 0 O-C-N 119.601 -1.937 . . . . 0.0 114.865 164.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.65 134.24 61.87 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.168 0 O-C-N 125.195 1.56 . . . . 0.0 114.931 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -137.43 124.01 20.95 Favored 'General case' 0 CA--C 1.47 -2.109 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 165.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -129.89 129.98 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-N 113.351 -1.75 . . . . 0.0 106.493 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -143.36 138.34 29.37 Favored 'General case' 0 C--O 1.19 -2.076 0 O-C-N 120.19 -1.569 . . . . 0.0 107.925 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.26 -53.94 9.32 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 C-N-CA 124.76 1.224 . . . . 0.0 113.599 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.573 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 1 N--CA 1.546 4.367 0 CA-C-O 121.613 0.72 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -110.85 114.1 27.19 Favored 'General case' 0 C--N 1.366 1.295 0 O-C-N 117.965 -2.959 . . . . 0.0 111.696 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.596 HG21 HG21 ' E' ' 7' ' ' VAL . 16.8 t -120.44 113.47 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 C-N-CA 126.0 1.72 . . . . 0.0 106.986 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -110.05 122.49 47.72 Favored 'General case' 0 C--O 1.16 -3.628 0 O-C-N 126.554 2.409 . . . . 0.0 115.394 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.95 135.44 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.034 0 C-N-CA 126.195 1.798 . . . . 0.0 110.02 -172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -145.27 137.47 25.75 Favored 'General case' 0 C--N 1.371 1.504 0 CA-C-O 117.119 -1.42 . . . . 0.0 112.842 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.11 141.78 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -171.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -126.37 121.66 33.15 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.859 1.263 . . . . 0.0 108.513 167.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.75 116.58 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.858 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -164.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 10' ' ' DPR . 9.1 Cg_exo -71.31 -16.08 31.38 Favored 'Trans proline' 0 N--CA 1.456 -0.72 3 O-C-N 111.267 -5.175 . . . . 0.0 110.627 -168.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -117.57 135.08 54.21 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 126.307 2.255 . . . . 0.0 113.406 -160.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -130.05 149.49 51.75 Favored 'General case' 0 N--CA 1.393 -3.305 0 O-C-N 118.907 -2.371 . . . . 0.0 109.093 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.83 133.17 61.45 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 O-C-N 118.528 -2.607 . . . . 0.0 105.112 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -118.29 125.9 51.04 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 164.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 p -139.73 144.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 103.521 -2.77 . . . . 0.0 103.521 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -110.13 127.61 55.0 Favored 'General case' 0 N--CA 1.516 2.864 0 CA-C-O 125.162 2.41 . . . . 0.0 114.415 157.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -106.02 116.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -113.53 112.2 23.17 Favored 'General case' 0 CA--C 1.46 -2.493 0 CA-C-O 114.64 -2.6 . . . . 0.0 107.278 -174.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.73 114.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.384 2.074 0 CA-C-N 120.661 1.573 . . . . 0.0 111.835 -172.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.926 0 O-C-N 123.116 0.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -119.33 136.69 54.14 Favored 'General case' 0 CA--C 1.586 2.355 0 C-N-CA 117.239 -1.784 . . . . 0.0 109.547 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 t -126.4 145.43 33.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.964 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.672 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -126.88 145.59 50.61 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.298 1.863 . . . . 0.0 108.86 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 71.5 t -136.33 128.92 45.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.679 0 O-C-N 117.516 -3.24 . . . . 0.0 103.879 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -136.82 152.59 50.45 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 114.886 -2.726 . . . . 0.0 104.644 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.42 HG23 HG22 ' C' ' 14' ' ' VAL 0.289 0.3 OUTLIER -157.23 145.66 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.851 0 O-C-N 125.151 1.532 . . . . 0.0 108.753 -166.978 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -144.4 138.12 27.53 Favored 'General case' 0 N--CA 1.419 -1.987 1 O-C-N 115.285 -4.634 . . . . 0.0 105.541 170.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 12' ' ' THR . 24.6 t -130.45 126.39 60.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.5 -34.58 33.13 Favored 'Trans proline' 1 C--N 1.257 -4.256 0 CA-C-N 125.661 3.058 . . . . 0.0 116.431 170.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 95.3 m -62.85 113.99 3.37 Favored 'General case' 0 CA--C 1.442 -3.206 1 O-C-N 115.543 -4.473 . . . . 0.0 112.474 -166.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.46 138.26 54.37 Favored 'General case' 0 N--CA 1.432 -1.342 0 O-C-N 119.425 -2.047 . . . . 0.0 106.751 -174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.7 t -132.49 138.31 52.42 Favored 'Isoleucine or valine' 0 C--N 1.374 1.636 0 CA-C-O 114.978 -2.439 . . . . 0.0 111.457 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -141.57 149.91 41.38 Favored 'General case' 0 CA--C 1.49 -1.332 0 CA-C-N 121.801 2.091 . . . . 0.0 111.98 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.45 133.47 42.79 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.651 0 N-CA-C 103.643 -2.725 . . . . 0.0 103.643 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -129.3 118.28 22.03 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 127.624 2.369 . . . . 0.0 112.144 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.33 119.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.965 0 CA-C-N 113.135 -1.848 . . . . 0.0 112.727 -170.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -121.26 145.06 48.25 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 163.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -89.44 -41.9 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 O-C-N 120.386 -1.446 . . . . 0.0 111.145 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.922 -1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.519 2.982 0 CA-C-O 125.15 2.405 . . . . 0.0 116.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -103.74 120.2 40.47 Favored 'General case' 0 N--CA 1.513 2.701 0 O-C-N 118.19 -2.819 . . . . 0.0 106.232 166.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 HG13 ' D' ' 18' ' ' VAL . 21.7 t -124.84 120.97 60.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.642 0 CA-C-N 112.025 -2.352 . . . . 0.0 106.528 -171.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -123.65 118.3 26.95 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 117.848 -3.032 . . . . 0.0 111.439 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.71 136.64 53.15 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.05 0 C-N-CA 128.412 2.685 . . . . 0.0 111.829 -173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -137.79 123.22 19.55 Favored 'General case' 0 N--CA 1.413 -2.318 0 CA-C-O 126.046 2.831 . . . . 0.0 114.541 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 p -122.9 126.77 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 1 O-C-N 115.061 -4.774 . . . . 0.0 110.034 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -124.61 118.56 26.8 Favored 'General case' 0 CA--C 1.573 1.865 0 O-C-N 119.001 -2.312 . . . . 0.0 107.511 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.12 126.83 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 115.75 -2.071 . . . . 0.0 108.027 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . 0.446 ' HA ' ' HD2' ' C' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 10' ' ' DPR . 53.9 Cg_endo -82.99 -4.15 11.2 Favored 'Trans proline' 0 N--CA 1.507 2.29 0 C-N-CA 122.302 2.001 . . . . 0.0 115.635 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.479 HG23 HG22 ' B' ' 9' ' ' VAL . 5.2 m -108.72 122.92 48.14 Favored 'General case' 0 C--O 1.273 2.317 0 CA-C-N 122.543 2.429 . . . . 0.0 107.462 -154.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.02 112.41 20.91 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-O 123.984 1.85 . . . . 0.0 108.46 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.42 HG22 HG23 ' B' ' 7' ' ' VAL . 33.1 t -127.07 130.35 71.19 Favored 'Isoleucine or valine' 0 C--O 1.291 3.288 1 O-C-N 114.437 -5.164 . . . . 0.0 109.776 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -143.45 153.84 43.06 Favored 'General case' 0 N--CA 1.413 -2.307 1 O-C-N 115.345 -4.597 . . . . 0.0 107.558 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -150.47 139.63 15.27 Favored 'Isoleucine or valine' 0 C--N 1.396 2.605 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 -164.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -130.95 132.8 45.3 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 120.625 -1.297 . . . . 0.0 107.804 -170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 50.9 t -133.76 116.7 24.6 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.945 0 C-N-CA 126.356 1.862 . . . . 0.0 113.319 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -114.65 118.54 33.94 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 103.544 -2.761 . . . . 0.0 103.544 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.74 -68.69 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 117.258 -1.777 . . . . 0.0 111.207 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.803 0 O-C-N 119.741 -1.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 1 N--CA 1.552 4.662 0 CA-C-O 112.413 -3.661 . . . . 0.0 113.563 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.96 132.49 43.56 Favored 'General case' 0 CA--C 1.475 -1.93 0 N-CA-C 119.035 2.976 . . . . 0.0 119.035 169.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.66 167.15 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-O 115.987 -1.958 . . . . 0.0 107.325 -164.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -142.29 158.16 44.02 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 127.479 2.987 . . . . 0.0 116.103 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 37.5 t -131.22 132.23 63.26 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.208 155.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -146.15 126.97 14.4 Favored 'General case' 0 N--CA 1.514 2.755 1 CA-C-O 129.228 4.347 . . . . 0.0 112.248 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.298 10.0 p -133.04 127.05 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.47 1 O-C-N 115.424 -4.548 . . . . 0.0 108.532 -177.427 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -129.46 137.33 50.79 Favored 'General case' 0 CA--C 1.62 3.658 0 CA-C-O 122.357 1.075 . . . . 0.0 112.539 -172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t -137.79 84.98 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.266 1 N-CA-C 99.098 -4.408 . . . . 0.0 99.098 173.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -59.51 -11.03 12.63 Favored 'Trans proline' 0 C--N 1.368 1.574 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 36.4 m -101.89 113.25 26.29 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 126.794 3.188 . . . . 0.0 106.96 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -136.35 134.11 37.54 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 117.038 -3.539 . . . . 0.0 111.226 -170.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -124.07 136.55 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.869 0 C-N-CA 128.029 2.532 . . . . 0.0 109.359 171.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . 0.254 34.0 ttpt -140.86 132.04 26.44 Favored 'General case' 0 C--O 1.267 1.979 0 O-C-N 126.427 2.33 . . . . 0.0 113.354 173.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.1 131.14 68.18 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 105.186 -2.153 . . . . 0.0 105.186 174.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -133.45 129.0 36.67 Favored 'General case' 0 C--N 1.369 1.427 0 CA-C-O 122.082 0.944 . . . . 0.0 111.807 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.682 HG13 HG22 ' C' ' 3' ' ' VAL . 71.6 t -125.5 120.94 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.312 0 CA-C-O 124.361 2.029 . . . . 0.0 109.78 -166.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.7 117.21 33.52 Favored 'General case' 0 C--N 1.388 2.276 0 O-C-N 116.687 -3.758 . . . . 0.0 106.613 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.26 115.87 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.902 0 CA-C-O 128.37 3.938 . . . . 0.0 106.855 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.286 1 CA-C-N 106.947 -4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 73.4 t . . . . . 0 C--O 1.19 -2.038 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -123.79 135.39 53.78 Favored 'General case' 0 C--N 1.399 2.75 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 169.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -119.91 123.53 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.929 0 C-N-CA 131.384 3.873 . . . . 0.0 104.816 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -137.65 139.53 40.32 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 124.584 2.135 . . . . 0.0 114.038 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.41 131.63 40.37 Favored 'Isoleucine or valine' 0 C--N 1.412 3.324 0 O-C-N 120.593 -1.317 . . . . 0.0 108.498 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -116.89 150.85 37.78 Favored 'General case' 0 N--CA 1.388 -3.568 0 O-C-N 119.201 -2.187 . . . . 0.0 108.697 172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.596 HG21 HG21 ' A' ' 3' ' ' VAL . 14.8 p -145.99 140.8 21.54 Favored 'Isoleucine or valine' 0 C--N 1.396 2.603 0 O-C-N 120.636 -1.29 . . . . 0.0 108.466 172.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.17 134.55 50.14 Favored 'General case' 0 N--CA 1.386 -3.659 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t -130.01 115.94 35.21 Favored 'Isoleucine or valine' 0 C--N 1.396 2.601 0 O-C-N 116.798 -3.689 . . . . 0.0 107.054 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -92.09 -5.46 3.58 Favored 'Trans proline' 0 CA--C 1.464 -2.997 0 CA-C-N 123.378 2.242 . . . . 0.0 111.596 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -79.47 132.51 36.37 Favored 'General case' 0 N--CA 1.395 -3.184 0 CA-C-O 127.687 3.613 . . . . 0.0 112.044 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.56 127.24 21.84 Favored 'General case' 0 CA--C 1.485 -1.536 1 O-C-N 112.687 -6.258 . . . . 0.0 106.405 -168.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -133.22 132.33 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 118.219 -2.8 . . . . 0.0 109.417 -173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -131.85 134.27 45.57 Favored 'General case' 0 CA--C 1.458 -2.588 0 O-C-N 119.395 -2.066 . . . . 0.0 109.855 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 t -115.71 125.33 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.711 0 N-CA-C 103.422 -2.807 . . . . 0.0 103.422 -172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -141.75 128.28 20.16 Favored 'General case' 0 N--CA 1.419 -2.018 0 CA-C-O 123.256 1.503 . . . . 0.0 112.094 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -138.85 139.33 40.87 Favored 'Isoleucine or valine' 0 C--N 1.392 2.445 0 CA-C-O 114.547 -2.644 . . . . 0.0 105.173 -166.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -153.17 159.99 42.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 125.523 1.764 . . . . 0.0 108.586 -169.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.66 122.55 41.14 Favored 'Isoleucine or valine' 0 C--N 1.368 1.377 0 CA-C-O 126.83 3.205 . . . . 0.0 104.007 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.925 1 O-C-N 115.662 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.183 0.992 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.275 42.0 mttp -121.77 132.34 54.56 Favored 'General case' 0 C--N 1.382 1.991 0 O-C-N 120.369 -1.457 . . . . 0.0 113.667 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 85.3 t -120.83 125.72 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 N-CA-C 101.654 -3.461 . . . . 0.0 101.654 -170.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.46 112.28 7.55 Favored 'General case' 0 N--CA 1.487 1.423 1 CA-C-O 129.52 4.486 . . . . 0.0 107.198 171.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 75.0 t -115.86 134.91 57.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.576 0 O-C-N 117.087 -3.508 . . . . 0.0 102.022 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -135.98 139.78 43.44 Favored 'General case' 0 N--CA 1.426 -1.629 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.19 148.19 16.37 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 O-C-N 117.838 -3.038 . . . . 0.0 106.148 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -130.41 124.09 31.33 Favored 'General case' 0 N--CA 1.436 -1.169 0 O-C-N 118.344 -2.723 . . . . 0.0 111.803 175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.14 122.36 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.866 1 C-N-CA 133.081 4.553 . . . . 0.0 112.334 -162.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -107.81 34.62 0.04 OUTLIER 'Trans proline' 0 N--CA 1.526 3.439 0 CA-C-N 121.93 1.725 . . . . 0.0 108.271 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -98.73 118.18 34.88 Favored 'General case' 0 C--O 1.262 1.757 0 CA-C-O 116.878 -1.534 . . . . 0.0 112.451 170.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 115.5 26.43 Favored 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 123.582 2.901 . . . . 0.0 105.4 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.42 130.73 68.23 Favored 'Isoleucine or valine' 0 C--N 1.408 3.151 0 O-C-N 117.816 -3.053 . . . . 0.0 111.848 -170.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.56 124.2 50.41 Favored 'General case' 0 C--N 1.281 -2.413 0 O-C-N 118.988 -2.32 . . . . 0.0 116.56 166.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -117.96 131.2 71.4 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.295 0 C-N-CA 129.191 2.996 . . . . 0.0 112.755 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -140.97 121.57 14.21 Favored 'General case' 0 CA--C 1.455 -2.693 0 C-N-CA 127.664 2.385 . . . . 0.0 106.988 -170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -126.32 131.92 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 175.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -131.61 124.08 29.2 Favored 'General case' 0 CA--C 1.466 -2.259 0 CA-C-O 124.302 2.001 . . . . 0.0 111.988 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.18 133.44 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.304 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 113.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -109.47 131.61 54.9 Favored 'General case' 0 CA--C 1.465 -2.312 1 O-C-N 129.163 4.04 . . . . 0.0 113.295 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.86 116.25 50.54 Favored 'Isoleucine or valine' 0 C--O 1.268 2.036 1 C-N-CA 132.048 4.139 . . . . 0.0 104.652 -158.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' H' ' 17' ' ' LYS . 69.9 mttt -118.49 115.22 24.16 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.981 2.512 . . . . 0.0 112.559 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.27 123.58 50.61 Favored 'Isoleucine or valine' 0 C--N 1.412 3.309 0 CA-C-N 120.061 1.301 . . . . 0.0 110.161 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -136.99 152.77 50.53 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-O 127.547 3.546 . . . . 0.0 113.101 172.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' H' ' 14' ' ' VAL . 8.5 p -153.43 136.08 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.696 0 CA-C-O 127.063 3.316 . . . . 0.0 104.826 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -89.13 140.47 29.43 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 112.889 -1.96 . . . . 0.0 112.382 164.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -131.39 110.83 18.17 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.478 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -88.33 17.91 1.59 Allowed 'Trans proline' 0 N--CA 1.403 -3.836 0 CA-C-N 127.555 3.734 . . . . 0.0 108.633 -177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -99.62 139.59 35.06 Favored 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 123.208 2.731 . . . . 0.0 106.036 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -124.07 111.83 16.42 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.07 133.55 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.599 1 O-C-N 129.312 4.133 . . . . 0.0 111.264 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -140.74 124.71 17.27 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 125.418 2.532 . . . . 0.0 109.574 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 94.2 t -109.79 130.91 62.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.287 0 N-CA-C 103.254 -2.869 . . . . 0.0 103.254 171.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -133.87 145.94 50.12 Favored 'General case' 0 CA--C 1.471 -2.066 0 C-N-CA 124.578 1.151 . . . . 0.0 109.502 167.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.93 139.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.418 3.573 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -171.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -112.71 113.81 26.1 Favored 'General case' 0 CA--C 1.439 -3.302 0 O-C-N 125.923 2.014 . . . . 0.0 107.591 161.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 15.8 m -91.72 52.41 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.204 -1.317 0 C-N-CA 125.954 1.702 . . . . 0.0 115.445 -173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.504 0 O-C-N 124.453 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 1 N--CA 1.546 4.347 0 CA-C-O 112.87 -3.443 . . . . 0.0 108.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -156.65 50.95 0.5 Allowed 'General case' 0 C--O 1.266 1.969 1 CA-C-N 127.208 4.549 . . . . 0.0 111.097 -177.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.01 138.78 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 128.131 3.824 . . . . 0.0 107.992 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -152.84 15.55 0.56 Allowed 'General case' 0 C--O 1.252 1.218 0 O-C-N 118.256 -2.777 . . . . 0.0 108.59 -169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 16' ' ' VAL . 39.6 t -57.26 146.22 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.942 0 O-C-N 121.044 -1.035 . . . . 0.0 113.071 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -151.8 127.35 10.08 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-O 113.373 -3.203 . . . . 0.0 106.513 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 8.6 p -170.46 154.02 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 -168.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -116.02 133.98 55.45 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 126.2 1.8 . . . . 0.0 114.411 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.69 142.19 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.808 0 O-C-N 116.712 -3.743 . . . . 0.0 109.33 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -95.53 6.3 2.06 Favored 'Trans proline' 0 N--CA 1.486 1.068 0 C-N-CA 124.774 3.65 . . . . 0.0 112.819 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.8 p -107.22 141.83 37.9 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 124.251 3.205 . . . . 0.0 110.2 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -128.74 114.35 16.49 Favored 'General case' 0 N--CA 1.392 -3.339 0 CA-C-O 125.045 2.355 . . . . 0.0 112.602 -160.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' G' ' 7' ' ' VAL . 2.3 t -117.49 122.41 69.81 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 C-N-CA 128.842 2.857 . . . . 0.0 114.415 -155.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -137.17 123.27 20.38 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 118.492 -1.283 . . . . 0.0 108.597 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' H' ' 5' ' ' VAL . 94.7 t -127.36 133.82 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 C-N-CA 128.417 2.687 . . . . 0.0 105.259 -161.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' G' ' 4' ' ' LYS . 9.0 ttmt -151.59 130.46 12.48 Favored 'General case' 0 C--N 1.392 2.435 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.04 132.34 24.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 117.159 -3.463 . . . . 0.0 108.507 167.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -126.12 123.21 37.8 Favored 'General case' 0 C--O 1.191 -1.979 0 O-C-N 119.881 -1.762 . . . . 0.0 112.43 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 t -89.54 -51.01 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 128.101 2.56 . . . . 0.0 109.671 167.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 121.419 1.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 89.0 t . . . . . 0 C--O 1.287 3.053 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -124.07 120.17 31.63 Favored 'General case' 0 CA--C 1.445 -3.089 0 C-N-CA 128.285 2.634 . . . . 0.0 107.858 -169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.444 HG21 HG21 ' E' ' 7' ' ' VAL . 57.3 t -135.21 108.78 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 CA-C-O 114.478 -2.677 . . . . 0.0 108.591 -162.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -104.28 139.5 39.19 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 123.02 2.645 . . . . 0.0 114.625 177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -130.37 132.71 64.69 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 O-C-N 125.242 1.589 . . . . 0.0 109.698 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -139.16 139.75 37.67 Favored 'General case' 0 CA--C 1.594 2.67 0 CA-C-N 120.837 1.653 . . . . 0.0 106.74 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HB ' HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -148.52 138.39 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.363 1 N-CA-C 100.133 -4.025 . . . . 0.0 100.133 -170.414 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -122.13 111.57 17.15 Favored 'General case' 0 N--CA 1.392 -3.335 0 C-N-CA 129.331 3.052 . . . . 0.0 105.369 163.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.17 121.11 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-O 113.798 -3.001 . . . . 0.0 115.023 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -98.58 18.2 0.43 Allowed 'Trans proline' 0 CA--C 1.495 -1.447 0 O-C-N 115.358 -3.022 . . . . 0.0 106.26 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -130.41 138.49 50.37 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 128.025 3.774 . . . . 0.0 105.529 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -121.23 156.58 32.14 Favored 'General case' 0 C--N 1.404 2.936 0 O-C-N 116.968 -3.583 . . . . 0.0 109.694 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -152.08 144.47 15.87 Favored 'Isoleucine or valine' 0 C--O 1.291 3.249 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -132.46 137.26 47.18 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.21 146.69 21.22 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 CA-C-O 126.075 2.845 . . . . 0.0 108.161 172.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -106.99 132.49 52.87 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 118.168 -2.832 . . . . 0.0 109.892 166.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.61 125.64 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.884 0 CA-C-O 122.93 1.348 . . . . 0.0 107.831 176.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -117.11 124.26 48.79 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 127.596 3.57 . . . . 0.0 105.756 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.4 t -118.83 119.36 60.76 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-N 111.798 -2.455 . . . . 0.0 111.515 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.767 -1.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.458 -2.578 0 CA-C-O 113.94 -2.934 . . . . 0.0 118.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -133.51 138.11 45.95 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 123.113 2.688 . . . . 0.0 105.532 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.54 134.4 62.25 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 120.782 -1.199 . . . . 0.0 114.161 -171.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.63 129.27 36.67 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-O 122.048 0.928 . . . . 0.0 112.46 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.39 130.57 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 C-N-CA 127.205 2.202 . . . . 0.0 111.91 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -135.27 141.74 45.77 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.499 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.54 143.46 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 129.623 3.169 . . . . 0.0 114.919 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -145.5 128.89 16.89 Favored 'General case' 0 C--N 1.405 2.981 0 O-C-N 120.375 -1.453 . . . . 0.0 113.044 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.417 HG22 HG23 ' C' ' 12' ' ' THR . 99.0 t -138.34 127.07 31.25 Favored 'Isoleucine or valine' 0 C--N 1.379 1.856 0 N-CA-C 101.551 -3.5 . . . . 0.0 101.551 -171.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -81.99 -4.79 12.07 Favored 'Trans proline' 0 C--N 1.273 -3.413 0 CA-C-O 112.283 -3.299 . . . . 0.0 117.498 168.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -88.92 118.97 29.02 Favored 'General case' 0 CA--C 1.481 -1.7 0 O-C-N 126.578 2.424 . . . . 0.0 110.077 -176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.254 10.1 ptmt -122.64 132.8 54.44 Favored 'General case' 0 C--N 1.419 3.626 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 169.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 7' ' ' VAL . 7.7 t -135.18 141.2 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.132 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 -168.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.321 18.0 ptpt -134.58 134.58 41.46 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-O 123.588 1.661 . . . . 0.0 113.755 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 t -130.45 139.61 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 111.708 -2.496 . . . . 0.0 112.372 172.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -131.27 127.66 38.23 Favored 'General case' 0 CA--C 1.493 -1.217 1 O-C-N 114.248 -5.283 . . . . 0.0 117.454 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.9 t -121.28 140.66 44.7 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.716 0 CA-C-N 124.004 3.093 . . . . 0.0 105.483 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -136.45 132.61 35.63 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 112.246 -2.252 . . . . 0.0 110.346 165.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -90.33 -58.22 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 117.552 -1.659 . . . . 0.0 107.636 -169.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.461 0 O-C-N 120.632 -1.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -132.87 119.74 20.6 Favored 'General case' 0 CA--C 1.451 -2.856 0 O-C-N 117.45 -3.281 . . . . 0.0 107.907 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.75 125.88 46.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 O-C-N 119.396 -2.065 . . . . 0.0 108.83 -160.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -115.15 129.69 56.73 Favored 'General case' 0 C--N 1.374 1.669 0 CA-C-O 122.039 0.923 . . . . 0.0 110.004 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.35 141.95 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.99 0 O-C-N 121.043 -1.036 . . . . 0.0 112.112 176.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -134.91 120.62 19.48 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 126.878 2.611 . . . . 0.0 111.897 172.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.524 HG23 HG22 ' D' ' 14' ' ' VAL 0.288 5.2 p -124.37 127.22 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.992 0 CA-C-O 115.372 -2.251 . . . . 0.0 110.512 169.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -124.95 138.28 54.24 Favored 'General case' 0 C--O 1.191 -2.019 0 CA-C-N 124.436 3.289 . . . . 0.0 103.166 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m -146.4 143.53 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.566 0 CA-C-N 120.825 1.648 . . . . 0.0 109.851 175.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -111.01 21.43 0.05 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.501 1 C-N-CA 127.085 5.19 . . . . 0.0 105.606 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.417 HG23 HG22 ' B' ' 9' ' ' VAL . 18.5 m -121.9 127.52 50.54 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 114.157 -3.017 . . . . 0.0 107.724 -175.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -128.81 131.82 47.79 Favored 'General case' 0 N--CA 1.428 -1.555 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -170.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 23.0 t -132.37 135.57 57.69 Favored 'Isoleucine or valine' 0 C--N 1.378 1.815 0 C-N-CA 128.063 2.545 . . . . 0.0 104.17 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -138.02 137.93 38.35 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 117.029 -3.544 . . . . 0.0 115.875 160.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.41 122.47 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 112.973 -1.922 . . . . 0.0 110.008 -170.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.68 128.92 53.42 Favored 'General case' 0 CA--C 1.472 -2.034 0 O-C-N 117.322 -3.361 . . . . 0.0 109.435 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . 0.299 15.4 t -115.87 131.21 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 128.559 2.744 . . . . 0.0 108.1 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -119.2 124.04 45.79 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 159.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 t -84.58 -55.83 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.101 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.505 2.286 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -113.92 135.08 54.38 Favored 'General case' 0 C--N 1.386 2.183 1 O-C-N 115.906 -4.246 . . . . 0.0 110.969 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.33 152.23 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -125.5 136.31 53.21 Favored 'General case' 0 CA--C 1.595 2.68 0 CA-C-N 110.791 -2.913 . . . . 0.0 112.784 176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 16' ' ' VAL . 32.5 t -119.59 123.17 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.959 0 C-N-CA 125.616 1.567 . . . . 0.0 107.097 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -153.9 155.43 35.67 Favored 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 122.237 1.018 . . . . 0.0 113.185 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.263 14.2 p -156.32 138.17 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . 0.287 49.2 mttm -146.12 127.27 14.72 Favored 'General case' 0 CA--C 1.458 -2.565 0 O-C-N 118.851 -2.406 . . . . 0.0 109.649 -173.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 54.5 t -129.58 109.08 17.51 Favored 'Isoleucine or valine' 0 C--O 1.252 1.221 0 N-CA-C 101.747 -3.427 . . . . 0.0 101.747 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.76 -0.28 9.66 Favored 'Trans proline' 0 C--O 1.253 1.27 0 CA-C-O 116.15 -1.688 . . . . 0.0 112.608 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -84.44 117.45 23.65 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 123.159 2.709 . . . . 0.0 114.39 166.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -135.0 138.36 43.91 Favored 'General case' 0 CA--C 1.587 2.373 0 CA-C-O 117.008 -1.472 . . . . 0.0 109.653 -170.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.524 HG22 HG23 ' C' ' 7' ' ' VAL . 4.9 t -139.74 134.84 38.61 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 C-N-CA 131.254 3.822 . . . . 0.0 114.058 169.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -142.24 128.08 19.38 Favored 'General case' 0 C--N 1.408 3.146 0 CA-C-O 122.638 1.209 . . . . 0.0 113.842 169.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' D' ' 5' ' ' VAL . 78.2 t -119.45 126.48 75.38 Favored 'Isoleucine or valine' 0 C--N 1.363 1.185 1 O-C-N 116.277 -4.014 . . . . 0.0 104.207 178.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -128.74 130.31 46.91 Favored 'General case' 1 N--CA 1.543 4.216 0 O-C-N 125.96 2.037 . . . . 0.0 110.463 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.84 120.8 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.742 1 O-C-N 116.168 -4.082 . . . . 0.0 110.181 -167.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -94.5 123.31 37.85 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 118.802 -2.436 . . . . 0.0 107.948 166.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -108.54 101.53 12.68 Favored 'Isoleucine or valine' 0 C--O 1.279 2.61 0 CA-C-N 122.2 2.273 . . . . 0.0 107.621 170.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.05 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 N--CA 1.524 3.271 0 CA-C-O 121.936 0.874 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.15 132.27 18.31 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 116.509 -2.077 . . . . 0.0 108.442 -166.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.34 124.29 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 118.294 -2.754 . . . . 0.0 110.772 -169.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -136.6 141.98 43.3 Favored 'General case' 0 CA--C 1.584 2.27 0 CA-C-N 112.01 -2.359 . . . . 0.0 112.063 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -133.5 138.73 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.457 0 O-C-N 119.209 -2.182 . . . . 0.0 106.542 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -137.43 119.23 15.16 Favored 'General case' 0 CA--C 1.475 -1.934 0 N-CA-C 102.448 -3.167 . . . . 0.0 102.448 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 3' ' ' VAL . 1.2 p -111.03 130.26 64.8 Favored 'Isoleucine or valine' 0 C--N 1.383 2.047 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -132.36 119.36 20.61 Favored 'General case' 0 C--N 1.374 1.66 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 t -121.02 130.05 75.08 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.314 0 CA-C-O 116.295 -1.812 . . . . 0.0 107.525 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -69.32 -11.68 31.98 Favored 'Trans proline' 0 N--CA 1.435 -1.917 0 CA-C-N 127.127 3.581 . . . . 0.0 116.017 170.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m -100.35 105.75 17.3 Favored 'General case' 1 C--N 1.429 4.055 2 O-C-N 113.228 -5.92 . . . . 0.0 112.946 -163.221 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.325 31.5 mtmm -114.9 123.03 48.1 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-O 116.15 -1.881 . . . . 0.0 112.633 -172.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.12 142.78 28.11 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 122.496 2.407 . . . . 0.0 106.637 -176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -130.4 140.51 50.58 Favored 'General case' 0 C--N 1.374 1.633 1 O-C-N 114.112 -5.368 . . . . 0.0 109.225 174.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.27 123.84 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.843 0 C-N-CA 130.835 3.654 . . . . 0.0 106.388 -175.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -141.26 133.45 27.95 Favored 'General case' 0 C--N 1.392 2.417 0 CA-C-O 124.554 2.121 . . . . 0.0 108.719 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.44 129.55 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.097 0 O-C-N 117.83 -3.044 . . . . 0.0 108.091 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -133.47 141.96 48.05 Favored 'General case' 0 CA--C 1.583 2.231 0 C-N-CA 130.657 3.583 . . . . 0.0 115.554 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.29 101.51 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.547 0 O-C-N 120.023 -1.673 . . . . 0.0 109.319 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.51 0 O-C-N 117.412 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.517 2.922 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.21 134.53 36.35 Favored 'General case' 0 C--N 1.402 2.868 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.472 HG13 HG22 ' G' ' 18' ' ' VAL . 2.4 t -125.45 126.6 70.8 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.536 0 O-C-N 117.414 -3.304 . . . . 0.0 109.975 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -120.96 119.44 32.58 Favored 'General case' 0 N--CA 1.407 -2.582 0 O-C-N 125.025 1.453 . . . . 0.0 110.148 171.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . 0.453 HG22 HG13 ' G' ' 16' ' ' VAL . 19.8 t -131.59 119.45 42.52 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -119.6 135.94 54.59 Favored 'General case' 0 CA--C 1.462 -2.417 0 O-C-N 120.299 -1.501 . . . . 0.0 111.907 -174.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . 0.406 HG23 HG22 ' G' ' 14' ' ' VAL . 13.7 p -139.18 140.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 O-C-N 119.924 -1.735 . . . . 0.0 113.131 167.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -113.69 126.45 55.25 Favored 'General case' 0 N--CA 1.508 2.426 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.168 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 t -133.69 94.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 116.073 -1.917 . . . . 0.0 109.746 -156.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.93 -0.3 10.51 Favored 'Trans proline' 0 N--CA 1.428 -2.357 0 O-C-N 113.574 -3.961 . . . . 0.0 112.205 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -95.1 138.85 32.27 Favored 'General case' 1 C--N 1.466 5.671 1 O-C-N 112.649 -6.282 . . . . 0.0 112.786 -171.904 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 135.59 53.74 Favored 'General case' 0 N--CA 1.411 -2.415 0 CA-C-O 121.506 0.67 . . . . 0.0 110.585 166.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -133.22 134.42 57.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 C-N-CA 127.381 2.272 . . . . 0.0 106.078 -175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.358 77.6 mttt -136.99 127.23 26.31 Favored 'General case' 0 CA--C 1.475 -1.91 0 CA-C-N 113.095 -1.866 . . . . 0.0 109.594 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 65.5 t -112.58 136.02 50.13 Favored 'Isoleucine or valine' 0 C--O 1.274 2.369 0 O-C-N 116.706 -3.746 . . . . 0.0 108.029 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -136.14 131.23 34.44 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.82 112.74 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.946 0 C-N-CA 129.463 3.105 . . . . 0.0 104.844 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -113.75 110.86 20.84 Favored 'General case' 0 C--N 1.379 1.891 0 CA-C-N 111.91 -2.404 . . . . 0.0 107.549 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 43.9 t -104.14 88.51 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 112.641 -2.072 . . . . 0.0 108.18 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.375 1.693 0 CA-C-N 113.811 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' H' ' 20' ' ' VAL . 40.5 t . . . . . 1 N--CA 1.54 4.049 0 CA-C-O 123.67 1.7 . . . . 0.0 114.456 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -114.36 130.43 56.68 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 117.979 -2.951 . . . . 0.0 109.858 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.7 HG22 HG13 ' H' ' 18' ' ' VAL . 95.6 t -106.73 124.75 62.52 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 128.77 3.794 . . . . 0.0 106.805 164.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -115.88 125.77 53.06 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 126.542 1.937 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.23 122.64 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 121.518 -0.739 . . . . 0.0 110.984 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . 0.287 10.1 ptmt -139.09 142.59 38.13 Favored 'General case' 0 C--O 1.195 -1.779 0 O-C-N 120.26 -1.525 . . . . 0.0 113.637 -173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.319 2.7 p -149.83 142.03 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.209 -169.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -100.85 129.38 46.71 Favored 'General case' 0 C--N 1.406 3.048 0 C-N-CA 127.334 2.253 . . . . 0.0 110.761 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t -128.36 111.16 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.944 0 C-N-CA 124.908 1.283 . . . . 0.0 114.143 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -97.55 13.71 0.82 Allowed 'Trans proline' 0 CA--C 1.555 1.538 1 CA-C-N 130.628 4.831 . . . . 0.0 108.331 -171.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 36.9 m -91.38 125.98 36.31 Favored 'General case' 0 CA--C 1.438 -3.335 0 C-N-CA 129.031 2.932 . . . . 0.0 111.156 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -118.83 125.63 50.0 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 119.446 -2.034 . . . . 0.0 113.689 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . 0.406 HG22 HG23 ' F' ' 7' ' ' VAL . 2.0 t -109.53 139.05 34.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 116.804 2.149 . . . . 0.0 116.804 175.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.31 25.2 mtmt -136.31 127.82 28.65 Favored 'General case' 0 N--CA 1.422 -1.863 0 O-C-N 117.462 -3.274 . . . . 0.0 106.869 173.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.453 HG13 HG22 ' F' ' 5' ' ' VAL . 95.6 t -118.05 129.56 74.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -131.84 113.85 13.98 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 127.605 2.362 . . . . 0.0 109.431 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.472 HG22 HG13 ' F' ' 3' ' ' VAL . 67.6 t -131.97 115.03 25.79 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 CA-C-O 126.122 2.868 . . . . 0.0 111.625 -169.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -99.69 103.3 14.96 Favored 'General case' 1 N--CA 1.379 -4.013 0 C-N-CA 129.676 3.191 . . . . 0.0 112.197 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.64 -12.11 12.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.165 0 C-N-CA 128.888 2.875 . . . . 0.0 116.028 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.501 0 O-C-N 119.138 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.537 3.903 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -123.82 116.55 23.15 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 117.755 -3.091 . . . . 0.0 110.14 166.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.85 122.21 61.5 Favored 'Isoleucine or valine' 0 C--N 1.373 1.611 0 CA-C-O 126.147 2.879 . . . . 0.0 109.382 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -137.3 19.3 2.95 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 129.058 2.943 . . . . 0.0 116.707 -166.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.58 112.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.972 0 C-N-CA 128.057 2.543 . . . . 0.0 112.239 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -114.29 130.74 56.66 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -158.72 155.77 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.554 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -167.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . 0.268 45.0 pttt -138.94 125.05 20.05 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 172.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.98 138.23 41.81 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-O 125.026 2.346 . . . . 0.0 110.671 -159.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -110.44 39.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.015 1 CA-C-N 129.355 4.377 . . . . 0.0 109.111 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . 0.311 32.2 p -111.32 145.38 38.92 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 168.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -124.2 118.26 26.46 Favored 'General case' 0 N--CA 1.419 -2.002 0 C-N-CA 117.557 -1.657 . . . . 0.0 114.51 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.26 132.92 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.968 0 O-C-N 119.194 -2.191 . . . . 0.0 112.827 -159.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -130.63 132.54 45.52 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 115.291 -2.564 . . . . 0.0 110.749 167.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.7 142.42 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.756 0 O-C-N 120.156 -1.59 . . . . 0.0 108.567 169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -142.58 134.97 27.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 166.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.7 HG13 HG22 ' G' ' 3' ' ' VAL . 13.4 t -137.77 125.34 30.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 117.803 -3.061 . . . . 0.0 111.057 -172.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -122.55 108.78 13.52 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.543 ' HA ' HG22 ' G' ' 1' ' ' VAL . 41.5 t -80.64 -48.6 19.49 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 121.949 0.881 . . . . 0.0 110.45 160.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.541 0 CA-C-N 115.553 -0.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.521 3.083 0 CA-C-O 124.137 1.922 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -125.89 121.4 33.08 Favored 'General case' 0 CA--C 1.483 -1.627 0 O-C-N 117.171 -3.456 . . . . 0.0 111.27 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -123.57 115.68 46.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.065 0 CA-C-O 124.759 2.219 . . . . 0.0 109.629 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -97.45 129.83 44.62 Favored 'General case' 0 C--N 1.394 2.525 0 O-C-N 118.401 -2.687 . . . . 0.0 110.608 173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG11 HG21 ' E' ' 5' ' ' VAL . 3.5 t -122.35 129.19 75.48 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.121 0 C-N-CA 129.142 2.977 . . . . 0.0 110.669 -172.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -143.52 132.52 22.88 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 117.896 -1.522 . . . . 0.0 107.912 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG11 HG21 ' E' ' 18' ' ' VAL . 13.6 p -139.15 136.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 CA-C-O 123.663 1.697 . . . . 0.0 108.991 -166.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -126.28 127.04 44.98 Favored 'General case' 0 N--CA 1.404 -2.735 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 160.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' DPR . 14.9 p -138.38 128.24 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.702 0 CA-C-O 114.353 -2.737 . . . . 0.0 108.2 -175.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.31 -16.97 3.04 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.646 3.564 . . . . 0.0 110.357 -165.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.314 3.2 t -103.81 144.53 31.37 Favored 'General case' 0 N--CA 1.42 -1.936 0 C-N-CA 130.173 3.389 . . . . 0.0 114.122 -172.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -132.56 162.19 31.9 Favored 'General case' 0 N--CA 1.407 -2.614 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -156.04 140.64 9.03 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.843 0 CA-C-O 127.868 3.699 . . . . 0.0 106.616 171.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.84 112.76 15.1 Favored 'General case' 0 C--N 1.425 3.861 0 CA-C-N 111.558 -2.564 . . . . 0.0 106.495 168.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.08 139.23 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.159 0 O-C-N 118.168 -2.833 . . . . 0.0 108.373 -166.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -111.96 121.38 44.86 Favored 'General case' 0 CA--C 1.589 2.467 0 O-C-N 120.239 -1.538 . . . . 0.0 114.599 -173.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG13 HG11 ' E' ' 14' ' ' VAL . 10.6 t -108.27 101.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.902 0 O-C-N 118.601 -2.562 . . . . 0.0 106.268 -167.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -97.62 132.65 43.08 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 119.796 -1.815 . . . . 0.0 108.911 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 t -136.62 111.41 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.046 0 C-N-CA 125.86 1.664 . . . . 0.0 113.406 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.314 0 O-C-N 121.174 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 123.829 1.776 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -115.28 131.96 56.77 Favored 'General case' 0 CA--C 1.566 1.57 1 O-C-N 116.266 -4.021 . . . . 0.0 108.631 169.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.436 23.4 t -118.73 132.56 68.26 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.87 0 O-C-N 126.479 2.362 . . . . 0.0 116.897 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -124.12 132.61 53.66 Favored 'General case' 0 N--CA 1.506 2.374 0 C-N-CA 127.798 2.439 . . . . 0.0 109.959 167.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.445 HG22 HG13 ' C' ' 16' ' ' VAL 0.295 76.5 t -133.77 137.97 51.52 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 O-C-N 117.45 -3.281 . . . . 0.0 105.069 172.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -128.52 124.63 36.53 Favored 'General case' 0 N--CA 1.412 -2.365 0 C-N-CA 130.733 3.613 . . . . 0.0 110.757 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.402 HG22 HG23 ' B' ' 9' ' ' VAL . 6.3 p -121.5 119.35 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.473 0 C-N-CA 130.63 3.572 . . . . 0.0 110.622 173.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -111.08 125.38 53.7 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 117.709 -3.119 . . . . 0.0 114.634 162.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 HG22 ' B' ' 7' ' ' VAL . 3.2 t -117.2 115.16 47.92 Favored 'Isoleucine or valine' 0 C--O 1.266 1.922 0 O-C-N 127.239 2.837 . . . . 0.0 105.566 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -84.15 -7.83 10.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 116.954 -1.564 . . . . 0.0 115.874 169.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.2 m -65.5 124.19 21.65 Favored 'General case' 0 N--CA 1.422 -1.864 0 C-N-CA 126.837 2.055 . . . . 0.0 108.169 171.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -136.52 118.76 15.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.084 -1.635 . . . . 0.0 111.989 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 t -124.92 137.62 56.94 Favored 'Isoleucine or valine' 0 C--O 1.25 1.108 0 CA-C-O 124.402 2.049 . . . . 0.0 109.962 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . 0.256 15.5 ptpt -124.1 140.38 53.02 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 123.293 1.521 . . . . 0.0 112.766 168.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -120.8 133.75 66.45 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 115.312 -2.28 . . . . 0.0 104.846 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -121.24 112.72 18.97 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 125.927 2.017 . . . . 0.0 108.33 169.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 HG21 ' F' ' 9' ' ' VAL . 2.6 t -90.59 136.12 24.82 Favored 'Isoleucine or valine' 0 C--O 1.246 0.912 0 CA-C-O 122.88 1.324 . . . . 0.0 112.015 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -147.48 131.65 17.38 Favored 'General case' 0 C--O 1.274 2.383 0 O-C-N 117.623 -3.173 . . . . 0.0 105.083 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.8 t -113.09 -79.48 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.039 0 C-N-CA 118.585 -1.246 . . . . 0.0 107.864 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.268 0 CA-C-N 118.449 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.79 143.24 50.6 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-O 114.033 -2.889 . . . . 0.0 106.885 -163.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -140.46 127.82 23.25 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 O-C-N 126.785 2.553 . . . . 0.0 112.199 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -120.91 123.46 42.55 Favored 'General case' 0 N--CA 1.397 -3.088 0 CA-C-O 127.295 3.426 . . . . 0.0 108.528 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.569 HG22 HG22 ' D' ' 16' ' ' VAL . 48.3 t -124.81 117.69 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.668 0 CA-C-N 112.026 -2.352 . . . . 0.0 109.587 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -117.26 131.49 56.82 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.004 2.522 . . . . 0.0 112.24 174.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.59 137.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 116.341 -3.974 . . . . 0.0 114.23 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -128.21 120.24 26.83 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-O 124.591 2.139 . . . . 0.0 105.83 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 HG11 ' G' ' 18' ' ' VAL . 3.0 m -146.33 134.23 15.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 O-C-N 116.344 -3.972 . . . . 0.0 112.038 -170.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -100.14 56.85 0.04 OUTLIER 'Trans proline' 1 CA--C 1.612 4.381 0 CA-C-N 122.502 1.929 . . . . 0.0 113.147 165.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -138.52 142.94 39.31 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 115.044 -2.408 . . . . 0.0 108.168 170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -118.78 115.13 23.81 Favored 'General case' 0 N--CA 1.387 -3.601 0 O-C-N 125.305 1.628 . . . . 0.0 112.722 160.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -108.69 148.94 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 117.888 -3.007 . . . . 0.0 105.246 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.299 15.3 pttm -139.85 152.1 46.21 Favored 'General case' 1 CA--C 1.417 -4.163 0 O-C-N 117.464 -3.273 . . . . 0.0 111.096 160.697 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . 0.445 HG13 HG22 ' B' ' 5' ' ' VAL . 51.6 t -147.51 133.7 12.61 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.137 0 O-C-N 125.111 1.507 . . . . 0.0 111.226 -169.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.33 127.32 24.02 Favored 'General case' 0 C--N 1.397 2.672 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -128.74 126.91 65.88 Favored 'Isoleucine or valine' 0 C--N 1.368 1.386 0 CA-C-O 124.539 2.114 . . . . 0.0 109.656 -174.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -117.32 118.37 32.09 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.445 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.47 -70.66 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.408 -2.545 0 O-C-N 120.407 -1.433 . . . . 0.0 112.606 171.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.609 0 O-C-N 119.408 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.258 1.507 0 CA-C-O 121.202 0.525 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -146.65 146.49 30.4 Favored 'General case' 0 N--CA 1.398 -3.054 1 O-C-N 115.234 -4.666 . . . . 0.0 110.38 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.258 10.6 m -146.17 145.89 19.6 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.567 0 C-N-CA 128.584 2.754 . . . . 0.0 108.2 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -116.57 139.63 50.29 Favored 'General case' 0 N--CA 1.397 -3.122 0 CA-C-N 113.75 -1.568 . . . . 0.0 107.169 174.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.86 135.7 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-O 115.779 -2.057 . . . . 0.0 106.833 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -159.99 139.88 11.46 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.91 123.37 24.81 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 125.704 2.668 . . . . 0.0 107.353 -168.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -122.64 118.22 27.64 Favored 'General case' 0 CA--C 1.563 1.474 0 O-C-N 118.512 -2.617 . . . . 0.0 113.201 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.3 103.6 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 170.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -60.31 -12.54 20.51 Favored 'Trans proline' 0 C--O 1.261 1.669 0 N-CA-C 118.329 2.396 . . . . 0.0 118.329 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -99.11 102.76 14.56 Favored 'General case' 0 C--O 1.274 2.374 0 CA-C-N 120.171 1.35 . . . . 0.0 107.704 -170.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -133.26 113.37 12.57 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.076 0.941 . . . . 0.0 111.97 -171.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -121.57 134.65 64.23 Favored 'Isoleucine or valine' 0 C--N 1.371 1.543 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 -170.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -134.93 133.25 39.38 Favored 'General case' 0 C--O 1.206 -1.236 0 O-C-N 116.99 -3.569 . . . . 0.0 108.046 166.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.569 HG22 HG22 ' C' ' 5' ' ' VAL . 83.6 t -130.43 127.73 62.9 Favored 'Isoleucine or valine' 0 C--O 1.263 1.805 0 CA-C-O 124.972 2.32 . . . . 0.0 105.615 176.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.72 150.45 43.46 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 117.592 -3.192 . . . . 0.0 112.002 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.69 123.37 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.42 0 C-N-CA 129.083 2.953 . . . . 0.0 108.09 -159.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.69 124.12 51.54 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 117.513 -1.675 . . . . 0.0 114.766 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.63 126.66 73.24 Favored 'Isoleucine or valine' 0 C--O 1.257 1.465 0 O-C-N 117.877 -3.014 . . . . 0.0 106.341 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.334 0 O-C-N 116.76 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' F' ' 20' ' ' VAL . 37.2 t . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -107.44 144.72 33.96 Favored 'General case' 0 CA--C 1.472 -2.04 0 C-N-CA 130.913 3.685 . . . . 0.0 109.114 172.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -136.49 126.87 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.442 0 N-CA-C 101.485 -3.524 . . . . 0.0 101.485 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -136.78 124.47 22.42 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 117.911 -1.516 . . . . 0.0 111.988 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.406 HG21 HG11 ' A' ' 5' ' ' VAL . 61.7 t -115.0 146.82 18.95 Favored 'Isoleucine or valine' 0 C--N 1.379 1.858 1 O-C-N 129.324 4.14 . . . . 0.0 109.04 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -140.13 147.97 40.98 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 119.069 -2.269 . . . . 0.0 111.075 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -134.54 121.53 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.152 0 CA-C-O 125.359 2.504 . . . . 0.0 108.977 -172.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -125.16 117.42 23.84 Favored 'General case' 0 C--O 1.202 -1.403 1 O-C-N 115.585 -4.447 . . . . 0.0 106.234 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.8 116.55 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.138 0 C-N-CA 125.282 1.433 . . . . 0.0 108.102 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . 0.413 ' HA ' ' HD3' ' E' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' E' ' 10' ' ' DPR . 71.6 Cg_endo -114.94 30.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.462 -3.103 0 O-C-N 124.473 1.775 . . . . 0.0 109.449 -170.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -121.51 121.97 38.69 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 100.895 -3.742 . . . . 0.0 100.895 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . 0.306 12.1 mtmm -127.0 120.81 29.94 Favored 'General case' 0 CA--C 1.463 -2.39 0 CA-C-O 122.461 1.124 . . . . 0.0 110.142 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . 0.444 HG11 HG13 ' A' ' 18' ' ' VAL . 44.0 t -129.11 133.32 66.09 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 C-N-CA 126.378 1.871 . . . . 0.0 107.39 -168.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -134.41 125.98 28.61 Favored 'General case' 0 C--N 1.403 2.92 0 O-C-N 116.986 -3.571 . . . . 0.0 116.556 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 87.7 t -111.89 122.35 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 C-N-CA 127.108 2.163 . . . . 0.0 105.951 -168.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -132.52 129.36 39.0 Favored 'General case' 0 CA--C 1.446 -3.029 0 O-C-N 119.873 -1.767 . . . . 0.0 113.548 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.401 HG21 HG11 ' A' ' 7' ' ' VAL . 57.0 t -130.86 128.4 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 C-N-CA 128.048 2.539 . . . . 0.0 106.171 -170.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -138.46 176.27 8.84 Favored 'General case' 0 C--O 1.189 -2.088 0 CA-C-N 120.33 1.423 . . . . 0.0 108.995 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -118.02 138.9 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.338 0 CA-C-O 124.505 2.097 . . . . 0.0 111.544 167.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.392 2.451 1 O-C-N 112.829 -6.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 92.1 t . . . . . 1 N--CA 1.548 4.466 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.07 150.29 37.94 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 116.682 -3.761 . . . . 0.0 109.469 -171.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.8 126.94 28.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 1 O-C-N 115.864 -4.273 . . . . 0.0 110.919 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -123.92 123.31 40.13 Favored 'General case' 0 C--N 1.384 2.078 0 O-C-N 125.293 1.621 . . . . 0.0 114.656 176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.3 132.58 64.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.037 0 C-N-CA 126.671 1.988 . . . . 0.0 114.445 168.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -134.24 139.31 45.68 Favored 'General case' 0 N--CA 1.408 -2.531 0 O-C-N 117.213 -3.43 . . . . 0.0 106.456 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.5 p -143.99 144.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.069 0 O-C-N 119.341 -2.1 . . . . 0.0 105.771 170.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . 0.312 81.1 mttt -109.11 112.8 25.17 Favored 'General case' 0 C--O 1.188 -2.156 0 O-C-N 118.906 -2.371 . . . . 0.0 107.04 170.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . 0.443 HG21 HG11 ' B' ' 18' ' ' VAL . 48.6 t -114.68 105.01 17.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -172.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.54 -17.01 26.97 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.712 1.608 . . . . 0.0 112.375 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 92.5 m -94.96 106.58 18.58 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.372 1.069 . . . . 0.0 110.815 -162.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' F' ' 13' ' ' LYS . 0.7 OUTLIER -80.15 134.4 36.15 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-O 117.21 -1.376 . . . . 0.0 114.048 170.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.31 133.46 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 O-C-N 126.436 2.335 . . . . 0.0 105.604 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -125.79 136.06 52.71 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 119.572 -1.955 . . . . 0.0 110.776 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.05 122.88 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 C-N-CA 128.742 2.817 . . . . 0.0 111.077 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -113.19 132.86 55.32 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.13 122.54 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.187 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 159.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -110.83 106.95 16.29 Favored 'General case' 0 CA--C 1.568 1.651 0 CA-C-N 112.129 -2.305 . . . . 0.0 106.771 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' E' ' 1' ' ' VAL . 87.2 t -82.7 133.39 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 128.154 2.582 . . . . 0.0 108.482 169.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.997 0 O-C-N 120.542 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 N--CA 1.524 3.241 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.333 53.3 mttm -149.95 136.45 19.09 Favored 'General case' 0 CA--C 1.466 -2.275 1 CA-C-O 129.259 4.362 . . . . 0.0 111.675 -178.874 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -102.98 126.58 57.24 Favored 'Isoleucine or valine' 0 C--N 1.402 2.867 1 O-C-N 114.672 -5.017 . . . . 0.0 109.783 163.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -116.42 120.13 37.83 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 126.264 2.935 . . . . 0.0 109.109 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.43 129.49 70.56 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -139.35 147.43 41.52 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 167.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.0 133.88 30.87 Favored 'Isoleucine or valine' 0 C--O 1.259 1.596 0 C-N-CA 127.069 2.148 . . . . 0.0 109.377 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -101.51 116.73 33.42 Favored 'General case' 0 CA--C 1.471 -2.076 0 C-N-CA 129.541 3.136 . . . . 0.0 106.435 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.14 117.68 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.702 0 C-N-CA 117.198 -1.801 . . . . 0.0 110.237 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -89.8 3.67 5.12 Favored 'Trans proline' 0 CA--C 1.576 2.601 0 C-N-CA 124.641 3.561 . . . . 0.0 107.98 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.15 119.34 31.7 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.598 1.09 . . . . 0.0 113.73 -172.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.25 82.8 mttt -115.42 121.9 44.16 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 -166.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.32 134.76 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 O-C-N 124.452 1.095 . . . . 0.0 111.875 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -123.84 142.2 51.33 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 125.0 2.333 . . . . 0.0 110.746 167.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.438 HG12 HG23 ' G' ' 18' ' ' VAL . 95.7 t -136.91 114.28 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 116.966 -3.584 . . . . 0.0 111.215 174.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -126.82 107.16 9.87 Favored 'General case' 0 C--N 1.379 1.85 1 O-C-N 114.324 -5.235 . . . . 0.0 109.885 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.477 HG11 HG23 ' C' ' 9' ' ' VAL . 64.6 t -117.23 128.05 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.835 0 C-N-CA 125.995 1.718 . . . . 0.0 108.918 -164.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -128.79 132.24 47.86 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.837 2.455 . . . . 0.0 109.811 -167.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.56 -32.05 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 118.895 -2.378 . . . . 0.0 112.682 -159.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.407 3.084 0 CA-C-N 120.561 1.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 123.097 1.427 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -142.68 145.67 33.64 Favored 'General case' 0 N--CA 1.398 -3.057 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 63.7 t -130.34 137.81 55.37 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.414 0 O-C-N 125.446 1.716 . . . . 0.0 109.605 160.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -135.76 122.54 21.11 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 117.864 -3.022 . . . . 0.0 105.345 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -128.22 126.05 65.34 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 O-C-N 117.527 -3.233 . . . . 0.0 105.787 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -139.41 105.07 5.12 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -149.4 157.62 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 118.023 -1.471 . . . . 0.0 112.271 -165.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -133.81 128.17 34.19 Favored 'General case' 0 CA--C 1.446 -3.057 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.23 148.18 22.74 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-O 115.704 -2.093 . . . . 0.0 110.996 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -111.05 35.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.915 0 N-CA-C 103.792 -3.195 . . . . 0.0 103.792 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -123.79 172.63 8.72 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -150.56 132.18 14.87 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 100.971 -3.715 . . . . 0.0 100.971 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.13 134.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 C-N-CA 126.073 1.749 . . . . 0.0 108.291 -169.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -141.59 132.76 26.34 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 128.578 2.751 . . . . 0.0 111.03 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -127.61 124.48 63.55 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.505 1 C-N-CA 131.947 4.099 . . . . 0.0 108.531 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -141.16 131.81 25.59 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 126.639 3.114 . . . . 0.0 107.443 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.53 HG12 HG23 ' H' ' 20' ' ' VAL . 59.4 t -118.29 124.23 72.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.604 1 O-C-N 116.151 -4.093 . . . . 0.0 110.567 -175.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -105.12 113.01 26.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 119.224 -2.172 . . . . 0.0 110.807 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.53 HG23 HG12 ' H' ' 18' ' ' VAL . 41.1 t -110.57 -72.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.578 0 O-C-N 126.525 2.391 . . . . 0.0 106.31 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.984 0 O-C-N 128.411 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 1 N--CA 1.549 4.507 0 CA-C-O 119.566 -0.254 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -128.12 121.71 30.25 Favored 'General case' 0 CA--C 1.488 -1.412 0 C-N-CA 126.849 2.06 . . . . 0.0 107.097 177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -130.81 126.55 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.737 0 CA-C-O 125.227 2.441 . . . . 0.0 107.394 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -99.84 133.76 43.72 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 129.774 3.229 . . . . 0.0 110.558 172.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.73 116.47 41.34 Favored 'Isoleucine or valine' 0 C--N 1.391 2.381 0 CA-C-O 125.158 2.409 . . . . 0.0 113.009 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -115.07 148.23 39.17 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 112.904 -1.953 . . . . 0.0 108.99 168.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.6 151.26 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.445 0 O-C-N 118.38 -2.7 . . . . 0.0 115.239 164.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 73.4 mttt -130.07 118.72 21.95 Favored 'General case' 0 C--N 1.412 3.301 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 166.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.98 111.34 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.038 0 CA-C-N 121.385 1.902 . . . . 0.0 106.426 -165.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -85.55 -16.37 4.73 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 CA-C-N 123.436 2.263 . . . . 0.0 112.224 -174.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.336 1.4 t -106.01 154.37 20.7 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -175.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 13.6 pttm -156.19 151.38 26.54 Favored 'General case' 0 CA--C 1.595 2.711 0 N-CA-C 103.502 -2.777 . . . . 0.0 103.502 -175.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -151.33 147.81 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 C-N-CA 126.875 2.07 . . . . 0.0 107.701 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -137.09 117.47 13.67 Favored 'General case' 0 CA--C 1.614 3.428 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.769 170.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -145.05 140.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -101.58 137.47 39.85 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 128.451 2.701 . . . . 0.0 108.427 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.37 122.02 67.11 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.189 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 166.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -113.63 131.24 56.2 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 103.624 -2.732 . . . . 0.0 103.624 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 t -140.61 127.25 21.65 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 CA-C-O 112.418 -3.658 . . . . 0.0 103.447 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 CA-C-N 121.872 2.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 123.165 1.46 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -121.75 137.04 54.92 Favored 'General case' 0 N--CA 1.399 -2.989 0 CA-C-O 123.88 1.8 . . . . 0.0 108.127 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.24 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 O-C-N 118.051 -2.906 . . . . 0.0 112.686 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -118.29 144.64 45.67 Favored 'General case' 0 N--CA 1.41 -2.466 0 C-N-CA 125.288 1.435 . . . . 0.0 112.746 167.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.75 134.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.27 0 C-N-CA 128.995 2.918 . . . . 0.0 108.296 168.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . 0.274 38.8 mtmt -123.03 152.32 41.07 Favored 'General case' 0 C--O 1.278 2.603 0 O-C-N 121.422 -0.799 . . . . 0.0 110.665 152.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.13 150.04 20.36 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 C-N-CA 118.451 -1.3 . . . . 0.0 110.04 168.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -127.76 131.45 49.66 Favored 'General case' 0 CA--C 1.565 1.53 0 CA-C-O 126.932 3.253 . . . . 0.0 111.81 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.2 t -132.34 96.32 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.821 0 O-C-N 119.455 -2.028 . . . . 0.0 108.517 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.05 -15.54 43.4 Favored 'Trans proline' 0 C--N 1.281 -2.993 0 C-N-CA 124.763 3.642 . . . . 0.0 117.291 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 87.7 m -90.29 123.97 34.51 Favored 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 115.076 -4.765 . . . . 0.0 113.517 -174.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -124.58 133.07 53.4 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.1 t -135.5 133.08 52.14 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.683 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -128.84 131.15 47.68 Favored 'General case' 0 C--O 1.173 -2.945 0 CA-C-O 124.491 2.091 . . . . 0.0 114.266 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.64 130.09 71.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.436 0 O-C-N 120.409 -1.432 . . . . 0.0 107.795 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -122.69 125.19 45.08 Favored 'General case' 0 N--CA 1.408 -2.566 0 O-C-N 118.597 -2.564 . . . . 0.0 106.208 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -115.45 128.15 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 113.395 -1.73 . . . . 0.0 110.819 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . 0.285 29.7 mtmt -139.18 160.98 38.52 Favored 'General case' 0 C--N 1.399 2.735 0 C-N-CA 123.779 0.832 . . . . 0.0 110.31 162.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -116.46 -63.18 2.02 Favored 'Isoleucine or valine' 0 C--N 1.376 1.745 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 -163.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 1.608 0 CA-C-N 119.61 1.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 CA--C 1.466 -2.283 0 CA-C-O 121.925 0.869 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -155.99 136.76 13.43 Favored 'General case' 0 N--CA 1.412 -2.363 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 -159.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.409 HG21 HG22 ' G' ' 9' ' ' VAL . 58.0 t -140.61 140.04 34.3 Favored 'Isoleucine or valine' 0 C--N 1.396 2.622 0 CA-C-N 112.217 -2.265 . . . . 0.0 109.208 -173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -119.37 129.5 54.86 Favored 'General case' 0 C--N 1.386 2.169 0 O-C-N 119.228 -2.17 . . . . 0.0 113.132 167.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 99.5 t -116.73 129.66 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.9 0 C-N-CA 125.541 1.536 . . . . 0.0 110.643 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -131.14 121.72 25.39 Favored 'General case' 0 C--O 1.294 3.4 0 CA-C-O 123.127 1.441 . . . . 0.0 112.312 166.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . 0.258 2.8 p -140.59 132.75 31.36 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.281 0 O-C-N 116.454 -3.904 . . . . 0.0 108.407 -169.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -133.81 123.23 24.46 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.648 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' D' ' 12' ' ' THR . 2.5 m -141.62 146.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-O 117.278 -1.344 . . . . 0.0 110.839 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -113.84 70.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.865 0 O-C-N 125.441 2.285 . . . . 0.0 112.542 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -154.29 138.41 16.48 Favored 'General case' 0 C--N 1.395 2.576 0 C-N-CA 127.022 2.129 . . . . 0.0 108.444 171.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -116.02 122.47 45.31 Favored 'General case' 0 CA--C 1.484 -1.563 0 C-N-CA 130.59 3.556 . . . . 0.0 118.187 163.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -119.84 134.9 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.242 0 CA-C-O 116.315 -1.803 . . . . 0.0 107.414 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -149.43 126.83 11.5 Favored 'General case' 0 C--N 1.416 3.473 0 O-C-N 126.835 2.584 . . . . 0.0 108.452 173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.55 116.65 32.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 C-N-CA 129.041 2.936 . . . . 0.0 105.691 -166.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -112.53 133.6 54.5 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.698 -1.876 . . . . 0.0 113.057 172.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.04 132.94 66.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 C-N-CA 129.973 3.309 . . . . 0.0 110.846 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -129.59 118.17 21.58 Favored 'General case' 0 N--CA 1.396 -3.13 0 C-N-CA 123.289 0.636 . . . . 0.0 110.067 167.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . 0.291 70.6 t -83.03 -82.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.265 1.895 0 O-C-N 118.507 -2.621 . . . . 0.0 108.88 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 118.357 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 20' ' ' VAL 0.319 34.3 t . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 121.279 3.807 . . . . 0.0 121.279 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -147.96 155.54 41.67 Favored 'General case' 0 CA--C 1.459 -2.536 0 O-C-N 118.435 -2.665 . . . . 0.0 115.563 -175.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.55 159.66 6.68 Favored 'Isoleucine or valine' 0 C--O 1.271 2.232 1 C-N-CA 132.074 4.15 . . . . 0.0 110.046 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -136.14 133.98 37.8 Favored 'General case' 0 CA--C 1.459 -2.539 0 C-N-CA 125.93 1.692 . . . . 0.0 107.712 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -121.62 129.4 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 117.614 -3.179 . . . . 0.0 109.866 173.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -143.37 152.43 41.59 Favored 'General case' 0 CA--C 1.47 -2.113 0 CA-C-N 123.297 2.771 . . . . 0.0 113.18 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.57 140.4 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 102.171 -3.27 . . . . 0.0 102.171 171.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -134.17 105.37 6.62 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 126.639 1.976 . . . . 0.0 106.318 -177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.46 98.02 5.37 Favored 'Isoleucine or valine' 0 C--O 1.291 3.241 0 O-C-N 119.722 -1.861 . . . . 0.0 106.967 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -13.32 31.86 Favored 'Trans proline' 0 C--N 1.285 -2.803 0 CA-C-N 123.859 2.414 . . . . 0.0 114.699 -174.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.464 HG23 ' CG1' ' C' ' 9' ' ' VAL . 96.6 m -99.39 106.49 18.57 Favored 'General case' 0 C--N 1.266 -3.022 0 CA-C-N 121.046 1.748 . . . . 0.0 109.252 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -131.21 130.97 43.62 Favored 'General case' 0 CA--C 1.567 1.622 0 O-C-N 127.449 2.968 . . . . 0.0 115.018 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.508 HG21 HG11 ' H' ' 16' ' ' VAL . 39.2 t -127.83 133.31 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 1 O-C-N 115.427 -4.545 . . . . 0.0 106.406 -175.217 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -120.83 124.67 45.6 Favored 'General case' 0 N--CA 1.408 -2.556 0 C-N-CA 127.639 2.376 . . . . 0.0 112.577 169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.51 141.82 45.54 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 C-N-CA 117.096 -1.842 . . . . 0.0 109.718 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -148.23 136.83 21.57 Favored 'General case' 0 C--N 1.363 1.181 0 CA-C-O 127.743 3.64 . . . . 0.0 110.596 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -117.89 135.38 58.48 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 CA-C-N 110.09 -3.232 . . . . 0.0 112.592 -159.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -119.72 124.39 46.09 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 102.318 -3.216 . . . . 0.0 102.318 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.44 ' HB ' ' HB ' ' D' ' 1' ' ' VAL 0.254 45.8 t -115.7 100.71 11.05 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 1 O-C-N 113.734 -5.604 . . . . 0.0 101.74 173.927 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.364 1.211 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 CA--C 1.576 1.949 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . 0.275 69.9 mttt -115.25 142.31 46.84 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-N 120.437 1.471 . . . . 0.0 110.674 158.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -123.75 123.75 67.78 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -127.21 120.57 29.05 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 104.361 -2.459 . . . . 0.0 104.361 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.56 107.65 20.57 Favored 'Isoleucine or valine' 0 C--N 1.382 2.01 0 CA-C-O 123.572 1.653 . . . . 0.0 109.912 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -103.48 130.23 50.8 Favored 'General case' 0 CA--C 1.577 1.991 0 O-C-N 116.684 -3.76 . . . . 0.0 111.394 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.07 132.5 70.36 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.77 129.78 42.88 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 110.81 -2.905 . . . . 0.0 113.165 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t -134.93 130.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 101.464 -3.532 . . . . 0.0 101.464 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -103.78 58.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.294 -2.336 1 O-C-N 129.104 4.213 . . . . 0.0 109.694 172.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -134.84 120.63 19.56 Favored 'General case' 0 C--O 1.28 2.681 1 CA-C-O 129.083 4.278 . . . . 0.0 110.313 163.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -113.19 124.71 53.18 Favored 'General case' 0 C--O 1.253 1.265 1 O-C-N 114.048 -5.408 . . . . 0.0 113.847 172.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.13 119.33 57.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.802 0 C-N-CA 127.944 2.498 . . . . 0.0 110.808 165.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -111.17 125.81 54.19 Favored 'General case' 0 C--N 1.416 3.494 0 C-N-CA 126.168 1.787 . . . . 0.0 107.442 165.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 t -102.17 87.22 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.584 2.288 1 C-N-CA 132.424 4.29 . . . . 0.0 103.467 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -97.09 127.68 43.29 Favored 'General case' 0 C--O 1.212 -0.898 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.38 134.7 66.12 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 C-N-CA 125.727 1.611 . . . . 0.0 107.289 -171.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -138.4 159.34 42.32 Favored 'General case' 0 N--CA 1.535 3.8 0 O-C-N 120.549 -1.344 . . . . 0.0 110.177 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.87 109.78 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 CA-C-O 126.496 3.046 . . . . 0.0 108.554 158.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.794 1 O-C-N 113.95 -5.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.484 -1.587 0 N-CA-C 111.164 0.061 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -134.85 127.68 31.24 Favored 'General case' 0 CA--C 1.562 1.434 0 CA-C-O 122.705 1.24 . . . . 0.0 110.955 -177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.75 135.55 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.83 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -132.45 122.75 25.42 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 128.914 2.886 . . . . 0.0 108.997 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 18.8 t -133.25 127.38 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -126.7 156.45 41.06 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . 0.289 5.4 p -153.43 130.15 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-O 126.904 3.24 . . . . 0.0 109.344 172.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -101.54 116.39 32.65 Favored 'General case' 0 C--N 1.359 1.017 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.575 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.27 109.73 28.1 Favored 'Isoleucine or valine' 0 C--O 1.27 2.169 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.785 -177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -83.47 1.65 8.83 Favored 'Trans proline' 0 C--N 1.292 -2.425 0 CA-C-N 127.205 3.609 . . . . 0.0 111.927 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 28.4 m -98.27 133.88 42.07 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 122.209 2.277 . . . . 0.0 116.418 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -115.34 111.12 20.4 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-N 113.871 -1.513 . . . . 0.0 109.287 -175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -104.78 133.44 48.94 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.629 0 CA-C-O 115.432 -2.223 . . . . 0.0 111.273 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -131.02 131.75 44.53 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.91 128.39 75.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 128.256 2.623 . . . . 0.0 108.284 166.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -119.31 120.7 37.73 Favored 'General case' 0 C--N 1.392 2.423 0 O-C-N 117.724 -3.11 . . . . 0.0 109.593 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.39 117.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 CA-C-N 122.049 2.204 . . . . 0.0 107.588 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -105.14 125.0 50.5 Favored 'General case' 0 CA--C 1.464 -2.343 0 O-C-N 120.596 -1.315 . . . . 0.0 113.296 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 t -100.85 140.55 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.469 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.471 0 O-C-N 125.2 1.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 118.075 -0.964 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -135.36 152.72 51.71 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 117.72 -1.592 . . . . 0.0 111.664 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.1 t -133.18 120.88 41.55 Favored 'Isoleucine or valine' 0 CA--C 1.44 -3.273 0 O-C-N 126.145 2.153 . . . . 0.0 111.459 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.48 145.15 43.51 Favored 'General case' 0 CA--C 1.576 1.948 0 O-C-N 120.002 -1.687 . . . . 0.0 108.969 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.09 140.52 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.493 0 N-CA-C 102.73 -3.063 . . . . 0.0 102.73 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -146.97 160.4 42.39 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 118.281 -2.762 . . . . 0.0 115.96 163.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -155.31 141.08 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -169.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -121.17 137.56 54.61 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.509 -1.369 . . . . 0.0 108.183 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . 0.409 HG22 HG21 ' C' ' 3' ' ' VAL 0.284 47.5 t -144.51 109.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.604 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -173.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . 0.411 ' HA ' ' HD2' ' G' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' G' ' 10' ' ' DPR . 59.9 Cg_endo -68.92 -6.9 19.27 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 CA-C-O 114.371 -2.429 . . . . 0.0 113.005 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.66 121.88 23.87 Favored 'General case' 0 C--O 1.27 2.165 0 CA-C-N 122.996 2.634 . . . . 0.0 110.803 -172.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.5 121.05 39.94 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.006 1.384 . . . . 0.0 112.942 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.65 135.1 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.168 0 C-N-CA 128.076 2.55 . . . . 0.0 106.492 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -135.18 135.85 41.37 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 114.94 -2.704 . . . . 0.0 104.705 157.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 73.4 t -121.02 126.94 75.8 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -133.98 131.31 38.8 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-O 126.04 2.829 . . . . 0.0 116.292 168.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.93 145.05 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.089 0 O-C-N 117.551 -3.218 . . . . 0.0 106.675 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -119.52 105.94 11.73 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 167.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -98.07 19.53 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -172.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 24.8 t . . . . . 0 N--CA 1.404 -2.749 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -141.62 153.5 44.8 Favored 'General case' 0 C--N 1.396 2.601 0 O-C-N 117.811 -3.056 . . . . 0.0 108.221 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 82.9 t -138.18 131.89 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.538 0 O-C-N 120.028 -1.67 . . . . 0.0 110.728 165.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -133.21 122.09 23.47 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 127.45 2.3 . . . . 0.0 116.164 168.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.39 125.7 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . 0.315 20.6 ttpp -130.84 115.98 17.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 164.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.45 156.02 11.83 Favored 'Isoleucine or valine' 0 C--N 1.41 3.223 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 -174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -132.96 139.9 47.53 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 125.989 2.056 . . . . 0.0 108.638 165.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -142.78 158.03 18.42 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.437 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -106.0 40.08 0.04 OUTLIER 'Trans proline' 0 N--CA 1.418 -2.92 0 CA-C-N 126.571 3.382 . . . . 0.0 107.769 173.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 66.2 p -128.98 137.41 51.35 Favored 'General case' 0 C--O 1.177 -2.722 0 O-C-N 118.653 -2.529 . . . . 0.0 107.741 -175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . 0.25 78.9 tttt -120.11 132.36 55.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 125.258 1.599 . . . . 0.0 109.817 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.8 124.52 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 103.395 -2.817 . . . . 0.0 103.395 -155.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -136.54 138.2 41.06 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 118.515 -2.616 . . . . 0.0 113.892 175.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . 0.508 HG11 HG21 ' D' ' 14' ' ' VAL . 90.6 t -129.54 129.58 66.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-O 112.411 -3.661 . . . . 0.0 103.91 -174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -143.27 131.54 22.04 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.308 2.255 . . . . 0.0 111.974 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -123.29 141.89 41.93 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.986 0 O-C-N 118.269 -2.769 . . . . 0.0 106.798 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -145.05 123.32 12.24 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 125.948 2.785 . . . . 0.0 104.379 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 50.2 t -105.22 -64.97 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.604 3.031 0 O-C-N 117.135 -3.478 . . . . 0.0 113.513 -174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.411 3.244 0 O-C-N 124.66 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' B' ' 20' ' ' VAL . 72.4 t . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 119.834 -0.127 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -118.41 129.33 55.34 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -129.58 132.53 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 120.23 1.377 . . . . 0.0 108.241 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -118.26 117.79 30.07 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 103.305 -2.85 . . . . 0.0 103.305 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -120.43 134.28 64.41 Favored 'Isoleucine or valine' 0 C--N 1.373 1.615 0 CA-C-O 128.289 3.9 . . . . 0.0 107.754 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -141.51 142.35 33.58 Favored 'General case' 0 C--N 1.417 3.531 0 CA-C-N 111.682 -2.508 . . . . 0.0 110.462 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.4 p -159.21 144.15 6.48 Favored 'Isoleucine or valine' 0 CA--C 1.447 -3.005 0 O-C-N 119.279 -2.138 . . . . 0.0 111.673 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -118.33 127.21 53.49 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.133 2.173 . . . . 0.0 110.012 167.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -149.05 110.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -104.6 -4.96 0.18 Allowed 'Trans proline' 0 C--O 1.201 -1.348 0 CA-C-O 127.713 3.13 . . . . 0.0 114.083 -168.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.319 2.1 t -107.6 156.95 18.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 111.307 -2.679 . . . . 0.0 107.171 -173.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -152.47 159.72 43.32 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.22 1.808 . . . . 0.0 107.526 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 15' ' ' LYS . 4.7 t -145.97 156.02 12.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.273 0 C-N-CA 125.718 1.607 . . . . 0.0 107.157 171.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' N ' HG12 ' A' ' 14' ' ' VAL 0.421 19.1 pttp -139.3 128.13 23.45 Favored 'General case' 0 C--O 1.175 -2.862 0 C-N-CA 126.111 1.764 . . . . 0.0 108.243 160.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.39 141.06 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 117.162 -3.461 . . . . 0.0 112.789 -172.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -112.07 111.35 22.19 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.487 1.613 . . . . 0.0 113.361 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.3 128.28 39.56 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.765 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.386 171.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -123.11 114.07 19.84 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 127.168 2.187 . . . . 0.0 107.552 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.6 t -134.11 116.92 23.95 Favored 'Isoleucine or valine' 0 C--N 1.383 2.061 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.547 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.441 HG22 HG13 ' C' ' 20' ' ' VAL . 21.2 t . . . . . 0 CA--C 1.48 -1.731 0 CA-C-O 121.205 0.526 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -123.15 148.35 45.82 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 -176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.56 135.13 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.716 0 O-C-N 120.142 -1.599 . . . . 0.0 109.419 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.9 137.9 54.61 Favored 'General case' 0 CA--C 1.58 2.127 0 C-N-CA 124.761 1.224 . . . . 0.0 111.325 168.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -133.15 139.77 48.62 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 127.098 2.159 . . . . 0.0 106.155 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -139.68 151.54 46.0 Favored 'General case' 0 C--N 1.409 3.188 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 159.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.7 p -134.86 140.15 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.986 0 CA-C-O 125.576 2.608 . . . . 0.0 109.115 171.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -127.98 130.58 48.59 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 119.239 -2.163 . . . . 0.0 105.965 176.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -130.15 109.1 16.93 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.521 1 O-C-N 115.939 -4.226 . . . . 0.0 104.778 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -59.64 -33.95 96.58 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 171.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.0 m -68.04 115.51 7.62 Favored 'General case' 0 C--N 1.375 1.696 0 O-C-N 117.29 -3.381 . . . . 0.0 108.818 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.4 121.14 35.01 Favored 'General case' 0 N--CA 1.382 -3.848 0 C-N-CA 128.455 2.702 . . . . 0.0 109.209 -174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.94 129.28 72.39 Favored 'Isoleucine or valine' 1 CA--C 1.639 4.387 0 O-C-N 126.08 2.112 . . . . 0.0 111.972 -174.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -116.76 131.01 57.06 Favored 'General case' 0 C--O 1.174 -2.913 0 C-N-CA 127.02 2.128 . . . . 0.0 113.932 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -121.87 123.43 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -123.3 125.28 44.74 Favored 'General case' 0 N--CA 1.409 -2.476 1 O-C-N 116.084 -4.135 . . . . 0.0 106.17 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -121.64 124.14 70.99 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 N-CA-C 104.274 -2.491 . . . . 0.0 104.274 -164.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -125.36 148.61 48.69 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 105.451 -2.055 . . . . 0.0 105.451 163.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' A' ' 1' ' ' VAL . 97.0 t -99.01 -67.82 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 O-C-N 125.03 1.456 . . . . 0.0 108.356 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.387 2.226 0 CA-C-N 122.074 2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.066 0.46 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' C' ' 19' ' ' LYS . 64.5 mttt -155.91 140.26 16.69 Favored 'General case' 0 N--CA 1.4 -2.973 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 -165.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.457 HG22 HG22 ' D' ' 18' ' ' VAL . 69.1 t -145.34 138.09 21.16 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.633 0 O-C-N 118.348 -2.72 . . . . 0.0 108.364 -172.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -120.34 122.75 41.49 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 128.292 2.637 . . . . 0.0 114.801 168.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 90.6 t -116.91 124.83 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.262 0 N-CA-C 102.615 -3.105 . . . . 0.0 102.615 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -117.37 125.43 50.99 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 121.761 2.073 . . . . 0.0 114.677 156.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.95 125.91 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 1 O-C-N 115.736 -4.353 . . . . 0.0 110.448 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -124.13 105.84 9.86 Favored 'General case' 0 C--N 1.399 2.723 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.558 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.19 151.45 35.89 Favored 'Isoleucine or valine' 0 C--O 1.286 3.021 0 C-N-CA 118.653 -1.219 . . . . 0.0 110.799 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -99.51 69.23 0.06 OUTLIER 'Trans proline' 0 N--CA 1.412 -3.32 0 CA-C-N 127.231 3.618 . . . . 0.0 110.811 165.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -166.28 131.65 2.33 Favored 'General case' 0 CA--C 1.566 1.585 0 O-C-N 117.995 -2.941 . . . . 0.0 107.857 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -136.09 116.11 13.29 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.234 2.214 . . . . 0.0 114.739 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.04 122.41 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.107 0 C-N-CA 126.267 1.827 . . . . 0.0 109.57 -169.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -131.5 152.25 50.89 Favored 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 103.379 -2.822 . . . . 0.0 103.379 172.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 26.3 t -143.72 135.36 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.68 0 C-N-CA 128.04 2.536 . . . . 0.0 105.142 -168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.32 119.42 17.59 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 124.331 1.052 . . . . 0.0 109.534 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.9 t -116.01 133.13 63.45 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.249 0 C-N-CA 128.462 2.705 . . . . 0.0 109.626 -172.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . 0.415 ' HG3' ' HG2' ' C' ' 2' ' ' LYS . 36.2 ttpt -128.76 114.95 17.22 Favored 'General case' 0 C--N 1.379 1.869 0 O-C-N 119.34 -2.1 . . . . 0.0 109.26 178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 1' ' ' VAL . 88.2 t -81.49 -66.06 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.516 2.843 0 CA-C-N 124.609 3.368 . . . . 0.0 109.225 -170.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.145 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 1 N--CA 1.588 6.443 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -149.51 149.05 30.15 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-O 124.534 2.111 . . . . 0.0 114.894 -172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -147.84 153.46 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 118.124 -2.86 . . . . 0.0 114.017 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -130.81 118.72 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.613 1.097 . . . . 0.0 111.478 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.24 124.15 71.53 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 120.434 -1.416 . . . . 0.0 109.074 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.15 146.42 35.29 Favored 'General case' 0 C--N 1.37 1.486 0 O-C-N 116.49 -3.881 . . . . 0.0 114.772 -173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -139.69 153.8 23.68 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 168.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -146.83 121.53 9.85 Favored 'General case' 0 C--O 1.266 1.95 0 N-CA-C 101.778 -3.416 . . . . 0.0 101.778 -173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -129.34 117.08 42.04 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.442 1 N-CA-C 99.131 -4.396 . . . . 0.0 99.131 174.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -73.97 -14.33 23.79 Favored 'Trans proline' 0 C--O 1.26 1.616 0 C-N-CA 124.232 3.288 . . . . 0.0 115.709 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 34.6 m -90.01 92.9 9.18 Favored 'General case' 0 CA--C 1.424 -3.883 0 N-CA-C 104.679 -2.341 . . . . 0.0 104.679 -169.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . 0.315 63.4 mttp -123.16 140.33 53.14 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -137.65 135.37 46.21 Favored 'Isoleucine or valine' 1 C--O 1.307 4.079 0 O-C-N 119.433 -2.042 . . . . 0.0 107.138 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -133.36 132.61 41.44 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 122.281 1.039 . . . . 0.0 110.538 166.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.01 119.71 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -119.27 136.77 54.07 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 117.201 -3.437 . . . . 0.0 110.177 169.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.457 HG22 HG22 ' C' ' 3' ' ' VAL . 54.2 t -118.93 130.31 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-O 114.23 -2.795 . . . . 0.0 108.095 -164.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.3 tptt -112.46 125.27 54.04 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 122.624 2.466 . . . . 0.0 107.072 174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 t -115.99 92.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.383 0 CA-C-O 128.035 3.779 . . . . 0.0 116.152 154.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.588 0 O-C-N 117.704 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.531 3.613 0 CA-C-O 123.86 1.791 . . . . 0.0 114.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -117.85 127.29 53.73 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.11 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 72.0 t -103.66 111.69 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 C-N-CA 126.913 2.085 . . . . 0.0 107.317 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -122.64 126.59 47.95 Favored 'General case' 0 C--N 1.403 2.896 0 CA-C-O 123.489 1.614 . . . . 0.0 112.622 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -126.46 120.73 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.205 0 O-C-N 120.569 -1.332 . . . . 0.0 109.724 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -119.02 147.01 44.56 Favored 'General case' 0 C--N 1.394 2.523 0 O-C-N 119.093 -2.254 . . . . 0.0 105.051 -176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.3 127.82 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 126.669 2.481 . . . . 0.0 105.695 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -128.73 131.28 47.89 Favored 'General case' 0 CA--C 1.483 -1.629 0 O-C-N 127.099 2.749 . . . . 0.0 111.733 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t -131.86 116.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-O 112.655 -3.545 . . . . 0.0 103.824 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -86.31 23.82 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 124.438 3.425 . . . . 0.0 111.246 -176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.259 25.3 m -124.12 123.26 39.93 Favored 'General case' 0 C--N 1.402 2.861 0 CA-C-N 123.395 2.816 . . . . 0.0 114.532 166.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -124.47 130.1 51.85 Favored 'General case' 0 C--O 1.19 -2.052 0 C-N-CA 128.751 2.821 . . . . 0.0 103.829 -166.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 t -134.11 130.56 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.601 0 C-N-CA 128.066 2.546 . . . . 0.0 110.871 174.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -118.29 135.6 54.2 Favored 'General case' 0 C--O 1.281 2.714 0 CA-C-O 123.445 1.593 . . . . 0.0 107.482 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 62.9 t -117.32 117.75 56.29 Favored 'Isoleucine or valine' 0 C--N 1.383 2.036 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 167.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.28 51.3 pttt -114.09 124.01 51.05 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 127.878 3.704 . . . . 0.0 108.901 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -124.46 133.12 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.657 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.401 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -145.12 150.98 37.76 Favored 'General case' 0 C--N 1.412 3.321 0 O-C-N 118.766 -2.459 . . . . 0.0 107.276 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 98.6 t -78.92 108.63 12.71 Favored 'Isoleucine or valine' 0 C--O 1.269 2.084 0 CA-C-N 112.286 -2.234 . . . . 0.0 106.261 163.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 O-C-N 121.552 -0.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.52 3.054 0 CA-C-O 125.37 2.51 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -140.79 132.16 26.76 Favored 'General case' 0 C--N 1.365 1.25 1 O-C-N 116.282 -4.012 . . . . 0.0 106.287 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.475 HG13 HG22 ' G' ' 18' ' ' VAL . 8.5 t -112.07 139.37 36.96 Favored 'Isoleucine or valine' 0 C--N 1.394 2.52 0 CA-C-N 121.937 2.153 . . . . 0.0 107.212 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -126.53 117.75 23.5 Favored 'General case' 0 C--O 1.178 -2.659 0 CA-C-O 125.648 2.642 . . . . 0.0 106.131 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 50.2 t -127.6 127.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 1 O-C-N 115.638 -4.413 . . . . 0.0 105.145 -176.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -135.23 136.31 41.64 Favored 'General case' 0 N--CA 1.427 -1.583 0 C-N-CA 125.356 1.462 . . . . 0.0 108.829 -170.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . 0.405 HG23 HG22 ' G' ' 14' ' ' VAL . 9.9 p -146.14 131.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 127.473 3.511 . . . . 0.0 117.111 172.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -104.54 117.59 34.51 Favored 'General case' 0 N--CA 1.416 -2.149 0 O-C-N 118.395 -2.69 . . . . 0.0 115.441 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.45 123.38 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.024 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -173.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -81.04 -18.84 8.6 Favored 'Trans proline' 0 CA--C 1.562 1.886 3 C-N-CA 126.131 4.554 . . . . 0.0 112.782 172.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -81.89 135.91 35.38 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 116.063 -1.922 . . . . 0.0 113.076 -168.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -121.96 122.45 39.39 Favored 'General case' 0 C--N 1.398 2.684 0 O-C-N 125.674 1.859 . . . . 0.0 107.941 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 46.7 t -122.29 132.67 70.59 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.337 0 CA-C-N 120.553 1.524 . . . . 0.0 109.763 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -122.87 136.51 54.89 Favored 'General case' 0 C--O 1.273 2.333 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.61 126.1 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.625 1 C-N-CA 134.526 5.13 . . . . 0.0 110.355 168.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -124.19 116.78 23.26 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.96 108.94 26.11 Favored 'Isoleucine or valine' 0 C--N 1.393 2.468 0 N-CA-C 103.124 -2.917 . . . . 0.0 103.124 166.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -107.3 120.25 41.62 Favored 'General case' 0 C--N 1.374 1.657 0 O-C-N 125.057 1.473 . . . . 0.0 110.049 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -96.05 120.19 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.405 0 O-C-N 117.501 -3.249 . . . . 0.0 110.026 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.018 0 O-C-N 126.173 2.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--O 1.264 1.863 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -110.21 142.46 41.74 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -110.42 131.54 61.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 C-N-CA 126.668 1.987 . . . . 0.0 110.919 161.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -112.97 136.74 52.32 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 126.177 1.791 . . . . 0.0 109.416 165.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 73.2 t -130.04 152.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 161.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -166.13 164.64 18.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 117.559 -3.213 . . . . 0.0 115.723 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . 0.431 HG23 HG22 ' H' ' 14' ' ' VAL . 12.2 p -168.01 145.02 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 O-C-N 126.318 2.261 . . . . 0.0 114.326 -170.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -116.55 117.93 31.23 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 116.017 -1.944 . . . . 0.0 110.036 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -126.42 99.63 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -166.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -86.65 3.88 6.56 Favored 'Trans proline' 0 C--O 1.288 2.985 0 CA-C-N 125.803 3.108 . . . . 0.0 112.507 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . 0.282 7.9 m -94.06 127.43 39.86 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 122.07 2.214 . . . . 0.0 110.959 -169.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -117.49 125.67 51.28 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.848 -2.025 . . . . 0.0 109.977 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . 0.405 HG22 HG23 ' F' ' 7' ' ' VAL . 3.7 t -117.55 148.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.417 3.508 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 173.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -146.8 134.97 21.64 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 116.647 -3.783 . . . . 0.0 104.331 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.97 133.0 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 N-CA-C 101.003 -3.703 . . . . 0.0 101.003 -173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -136.69 128.9 29.78 Favored 'General case' 0 CA--C 1.471 -2.087 0 CA-C-O 124.714 2.197 . . . . 0.0 107.201 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.475 HG22 HG13 ' F' ' 3' ' ' VAL 0.273 91.0 t -120.57 133.08 68.42 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 100.557 -3.868 . . . . 0.0 100.557 -174.739 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -117.76 109.3 16.44 Favored 'General case' 0 CA--C 1.577 1.99 0 O-C-N 118.603 -2.561 . . . . 0.0 108.725 165.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.94 -15.26 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 1 CA-C-O 110.36 -4.638 . . . . 0.0 113.477 -176.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.293 0 CA-C-N 123.892 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . 0.25 19.1 t . . . . . 0 CA--C 1.615 3.472 0 CA-C-O 116.681 -1.628 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -140.62 139.06 34.82 Favored 'General case' 0 C--O 1.186 -2.272 0 CA-C-N 120.177 1.353 . . . . 0.0 112.429 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 t -133.19 119.19 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.817 0 N-CA-C 101.384 -3.561 . . . . 0.0 101.384 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -125.81 119.71 28.61 Favored 'General case' 0 C--N 1.423 3.79 0 O-C-N 118.833 -2.417 . . . . 0.0 109.658 163.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 t -129.98 121.28 51.64 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.216 0 CA-C-O 123.88 1.8 . . . . 0.0 108.669 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -134.67 125.9 28.02 Favored 'General case' 0 C--O 1.268 2.032 0 O-C-N 117.311 -3.368 . . . . 0.0 107.998 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.89 155.42 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.217 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -162.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -141.08 136.15 31.68 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 130.83 3.652 . . . . 0.0 106.031 168.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 m -151.01 132.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.398 2.676 0 O-C-N 120.123 -1.611 . . . . 0.0 109.352 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -113.04 38.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 CA-C-N 126.559 3.378 . . . . 0.0 105.707 -176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.7 p -122.67 126.11 46.95 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -111.27 128.97 56.11 Favored 'General case' 0 CA--C 1.469 -2.151 0 O-C-N 116.769 -3.707 . . . . 0.0 104.683 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . 0.431 HG22 HG23 ' G' ' 7' ' ' VAL . 2.7 t -134.68 130.9 53.49 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.011 0 C-N-CA 127.542 2.337 . . . . 0.0 114.637 -167.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -142.42 139.16 31.54 Favored 'General case' 0 C--O 1.206 -1.224 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -124.6 130.82 73.36 Favored 'Isoleucine or valine' 0 C--N 1.377 1.79 0 CA-C-O 115.071 -2.395 . . . . 0.0 104.717 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -141.27 123.82 15.92 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 121.481 1.946 . . . . 0.0 112.116 170.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.09 122.25 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.007 0 C-N-CA 127.683 2.393 . . . . 0.0 107.532 -169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -122.34 117.49 26.2 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 124.038 1.875 . . . . 0.0 112.565 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.78 -52.03 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.513 1 O-C-N 115.419 -4.55 . . . . 0.0 107.198 -169.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.108 0 O-C-N 120.36 -1.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.436 -3.404 0 CA-C-O 121.161 0.505 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.25 68.5 mttt -119.94 136.35 54.55 Favored 'General case' 0 C--N 1.411 3.268 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 169.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.04 138.82 51.7 Favored 'Isoleucine or valine' 1 N--CA 1.377 -4.115 0 CA-C-O 112.596 -3.574 . . . . 0.0 104.038 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -131.94 142.35 49.6 Favored 'General case' 0 N--CA 1.418 -2.035 0 CA-C-N 124.224 3.193 . . . . 0.0 110.306 172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -125.8 122.33 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 126.912 2.085 . . . . 0.0 105.551 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -129.74 117.19 19.89 Favored 'General case' 0 CA--C 1.458 -2.593 0 CA-C-O 126.654 3.121 . . . . 0.0 110.699 162.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.43 138.71 53.97 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.253 0 CA-C-N 110.14 -3.209 . . . . 0.0 110.492 -172.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.26 120.28 38.44 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.694 -3.754 . . . . 0.0 109.128 160.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 12' ' ' THR . 2.8 p -131.29 124.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' E' ' 20' ' ' VAL . 89.9 Cg_endo -93.38 7.63 2.67 Favored 'Trans proline' 0 C--O 1.264 1.793 0 CA-C-N 127.715 3.791 . . . . 0.0 109.731 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 t -105.39 159.7 15.71 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 122.089 2.222 . . . . 0.0 109.912 173.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -150.1 138.89 20.86 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-O 116.571 -1.68 . . . . 0.0 107.676 175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.0 125.58 10.32 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.281 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -176.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.3 19.6 pttp -114.7 135.19 54.43 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 113.645 -1.616 . . . . 0.0 109.242 160.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -162.32 144.19 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.798 0 O-C-N 119.056 -2.278 . . . . 0.0 111.735 -171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -103.85 132.21 50.33 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.869 -1.533 . . . . 0.0 109.642 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.73 133.49 45.05 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 1 O-C-N 115.103 -4.748 . . . . 0.0 107.038 163.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 132.85 34.65 Favored 'General case' 0 CA--C 1.45 -2.899 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.33 131.72 57.94 Favored 'Isoleucine or valine' 0 C--O 1.297 3.598 0 C-N-CA 130.171 3.389 . . . . 0.0 111.45 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.29 0 O-C-N 121.52 -0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.457 HG22 HG13 ' C' ' 20' ' ' VAL 0.255 14.3 t . . . . . 1 N--CA 1.539 4.001 0 N-CA-C 117.829 2.529 . . . . 0.0 117.829 . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -147.15 139.91 24.97 Favored 'General case' 0 C--N 1.369 1.416 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 t -139.79 139.17 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.595 -2.742 . . . . 0.0 103.595 -167.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -125.41 147.76 49.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 170.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.9 t -142.09 141.2 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-O 122.145 0.974 . . . . 0.0 110.15 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -135.21 132.92 38.48 Favored 'General case' 0 N--CA 1.413 -2.3 0 C-N-CA 123.833 0.853 . . . . 0.0 111.444 167.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . 0.362 10.0 p -129.27 136.1 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.686 1 O-C-N 129.771 4.419 . . . . 0.0 109.637 178.082 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -127.63 122.44 33.1 Favored 'General case' 0 CA--C 1.484 -1.588 0 C-N-CA 127.529 2.332 . . . . 0.0 108.968 173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.5 t -128.37 112.67 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.051 0 O-C-N 118.256 -2.777 . . . . 0.0 115.179 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -74.86 -15.23 21.22 Favored 'Trans proline' 0 N--CA 1.407 -3.587 1 C-N-CA 127.71 5.606 . . . . 0.0 116.431 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -64.9 123.44 19.43 Favored 'General case' 0 N--CA 1.521 3.094 0 C-N-CA 115.132 -2.627 . . . . 0.0 112.931 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -129.47 129.42 44.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 117.95 -2.969 . . . . 0.0 113.226 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -129.49 119.0 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.987 0 O-C-N 119.701 -1.875 . . . . 0.0 111.635 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -109.5 137.4 47.41 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.667 2.03 . . . . 0.0 105.718 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.62 129.52 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 CA-C-N 112.738 -2.028 . . . . 0.0 109.8 174.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -123.2 127.24 48.36 Favored 'General case' 0 N--CA 1.393 -3.319 0 N-CA-C 116.42 2.008 . . . . 0.0 116.42 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.22 136.32 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -171.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -139.34 162.07 35.92 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 103.98 -2.6 . . . . 0.0 103.98 161.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.38 -66.31 1.38 Allowed 'Isoleucine or valine' 1 C--N 1.235 -4.405 0 CA-C-O 112.13 -3.795 . . . . 0.0 103.483 -168.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.548 0 CA-C-N 125.096 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.222 -0.378 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -138.93 151.41 46.89 Favored 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 121.065 1.757 . . . . 0.0 107.705 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -151.3 134.74 7.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 103.919 -2.623 . . . . 0.0 103.919 -173.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -115.74 122.62 46.05 Favored 'General case' 0 N--CA 1.402 -2.839 0 N-CA-C 119.498 3.148 . . . . 0.0 119.498 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -111.03 126.66 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.277 0 CA-C-N 124.035 3.107 . . . . 0.0 112.8 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . 0.268 66.7 mttt -127.12 121.0 30.2 Favored 'General case' 0 C--N 1.374 1.634 0 CA-C-N 122.637 2.471 . . . . 0.0 110.312 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.412 HG23 HG22 ' D' ' 14' ' ' VAL . 1.8 p -145.89 136.57 18.79 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 122.618 2.463 . . . . 0.0 109.341 -173.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -140.07 114.89 9.54 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-O 115.821 -2.038 . . . . 0.0 113.337 -173.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.487 HG11 HG11 ' G' ' 3' ' ' VAL . 17.7 m -143.57 157.32 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.348 0 N-CA-C 101.712 -3.44 . . . . 0.0 101.712 -172.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -105.69 84.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 114.575 -3.15 . . . . 0.0 107.731 169.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -165.28 137.23 4.19 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 127.346 2.258 . . . . 0.0 108.256 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -126.72 126.77 44.03 Favored 'General case' 0 C--N 1.384 2.106 0 O-C-N 121.302 -0.874 . . . . 0.0 112.113 171.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -121.97 139.47 48.87 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.327 0 O-C-N 117.116 -3.49 . . . . 0.0 114.766 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -132.73 121.59 23.3 Favored 'General case' 0 C--N 1.279 -2.498 0 CA-C-O 124.223 1.963 . . . . 0.0 113.154 162.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.68 122.36 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.631 0 CA-C-N 111.002 -2.817 . . . . 0.0 112.622 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -120.47 131.67 54.86 Favored 'General case' 0 C--N 1.401 2.834 0 O-C-N 118.603 -2.561 . . . . 0.0 114.325 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.8 121.03 58.87 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.092 0 C-N-CA 131.095 3.758 . . . . 0.0 109.228 -169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -120.37 127.97 52.8 Favored 'General case' 0 C--N 1.394 2.541 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 164.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 1' ' ' VAL 0.291 29.3 t -86.65 -79.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.522 0 O-C-N 124.679 1.237 . . . . 0.0 110.041 -173.481 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 121.464 1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.517 2.897 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -142.72 143.65 32.35 Favored 'General case' 0 N--CA 1.41 -2.46 0 C-N-CA 127.07 2.148 . . . . 0.0 112.292 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -156.43 146.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.402 0 O-C-N 118.314 -2.741 . . . . 0.0 105.152 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -114.69 132.95 56.24 Favored 'General case' 0 C--O 1.272 2.255 0 O-C-N 119.062 -2.274 . . . . 0.0 110.242 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.97 121.89 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 116.463 -3.898 . . . . 0.0 111.058 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -147.16 146.57 29.93 Favored 'General case' 0 C--N 1.253 -3.609 0 CA-C-N 121.085 1.766 . . . . 0.0 112.704 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.71 142.8 29.87 Favored 'Isoleucine or valine' 0 C--O 1.251 1.172 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -132.85 119.86 20.77 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 129.213 3.005 . . . . 0.0 106.78 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.22 102.03 11.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 N-CA-C 102.662 -3.088 . . . . 0.0 102.662 164.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.61 -23.05 54.98 Favored 'Trans proline' 0 N--CA 1.529 3.589 0 CA-C-N 124.509 2.646 . . . . 0.0 117.98 171.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.5 m -87.3 103.72 15.73 Favored 'General case' 0 CA--C 1.495 -1.145 0 C-N-CA 125.767 1.627 . . . . 0.0 108.389 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -127.35 120.2 27.99 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 127.04 2.136 . . . . 0.0 116.292 -177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.412 HG22 HG23 ' C' ' 7' ' ' VAL . 20.1 t -125.32 143.67 38.06 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 O-C-N 117.508 -3.245 . . . . 0.0 107.887 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -136.83 144.24 43.53 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 119.543 -1.973 . . . . 0.0 112.771 166.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.29 116.86 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 O-C-N 117.912 -2.992 . . . . 0.0 105.5 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.3 33.6 pttt -117.76 136.4 53.41 Favored 'General case' 0 N--CA 1.509 2.519 0 CA-C-N 120.7 1.591 . . . . 0.0 113.466 171.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.4 t -112.5 133.25 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.544 0 C-N-CA 127.048 2.139 . . . . 0.0 106.846 -165.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -122.43 123.16 40.68 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.292 167.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.1 109.11 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 C-N-CA 126.652 1.981 . . . . 0.0 109.311 170.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 2 O-C-N 115.611 -4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . 0.257 28.6 t . . . . . 1 N--CA 1.546 4.369 0 CA-C-O 121.537 0.685 . . . . 0.0 111.579 . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -112.13 141.07 46.26 Favored 'General case' 0 N--CA 1.514 2.735 0 O-C-N 117.621 -3.174 . . . . 0.0 111.89 174.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 t -129.2 125.95 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.612 0 C-N-CA 116.496 -2.081 . . . . 0.0 106.621 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -131.58 118.0 19.49 Favored 'General case' 0 CA--C 1.466 -2.284 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.571 HG13 HG22 ' F' ' 16' ' ' VAL . 41.0 t -113.4 122.01 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-O 122.437 1.113 . . . . 0.0 109.932 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -126.25 134.48 51.17 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -167.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.645 HG23 HG22 ' F' ' 14' ' ' VAL . 8.7 p -131.96 131.03 61.67 Favored 'Isoleucine or valine' 0 C--O 1.282 2.8 0 O-C-N 117.201 -3.437 . . . . 0.0 104.645 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -128.07 128.79 45.56 Favored 'General case' 0 CA--C 1.582 2.187 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.157 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . 0.471 ' O ' ' C ' ' E' ' 10' ' ' DPR . 0.7 OUTLIER -131.31 117.82 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 -178.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . 0.471 ' C ' ' O ' ' E' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -106.54 53.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.402 -3.864 0 CA-C-N 127.582 3.744 . . . . 0.0 108.966 -173.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -128.89 128.56 44.05 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 110.886 -2.87 . . . . 0.0 104.952 161.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -126.5 130.91 51.54 Favored 'General case' 0 C--N 1.408 3.111 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 170.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -130.19 137.94 55.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 O-C-N 119.525 -1.985 . . . . 0.0 112.414 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -134.38 134.07 41.3 Favored 'General case' 0 N--CA 1.387 -3.591 0 O-C-N 119.354 -2.091 . . . . 0.0 112.987 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.11 112.46 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.792 0 O-C-N 117.729 -3.107 . . . . 0.0 104.614 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . 0.31 33.5 pttt -112.74 135.44 53.48 Favored 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 118.697 -2.502 . . . . 0.0 112.468 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.38 128.35 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.762 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.256 6.1 pttp -144.39 149.99 37.01 Favored 'General case' 0 C--N 1.417 3.522 0 O-C-N 118.734 -2.479 . . . . 0.0 110.411 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 11' ' ' PRO 0.275 38.2 t -77.75 109.63 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.295 0 C-N-CA 130.921 3.688 . . . . 0.0 105.868 172.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.156 0 O-C-N 118.662 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 N--CA 1.466 0.371 1 CA-C-O 129.076 4.275 . . . . 0.0 116.71 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . 0.251 40.6 mttp -129.26 135.24 48.52 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 111.234 -7.166 . . . . 0.0 110.248 176.426 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . 0.321 72.5 t -127.65 122.39 58.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 -173.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -121.1 129.21 53.2 Favored 'General case' 0 N--CA 1.392 -3.328 0 O-C-N 119.554 -1.966 . . . . 0.0 106.974 171.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.43 140.9 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 O-C-N 121.147 -0.971 . . . . 0.0 111.819 168.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.61 149.79 50.62 Favored 'General case' 0 CA--C 1.464 -2.329 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 p -150.29 132.72 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 O-C-N 119.024 -2.298 . . . . 0.0 109.428 166.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -93.55 114.53 26.9 Favored 'General case' 1 N--CA 1.342 -5.857 0 CA-C-O 115.124 -2.369 . . . . 0.0 112.032 163.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.66 106.21 20.32 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 1 CA-C-N 126.559 4.254 . . . . 0.0 104.491 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -80.74 -12.84 12.1 Favored 'Trans proline' 0 CA--C 1.485 -1.939 0 CA-C-N 124.038 2.478 . . . . 0.0 113.573 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -103.84 134.78 46.57 Favored 'General case' 0 N--CA 1.536 3.826 0 C-N-CA 124.619 1.168 . . . . 0.0 111.481 -161.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -120.8 123.92 43.8 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . 0.645 HG22 HG23 ' E' ' 7' ' ' VAL . 47.7 t -116.47 133.4 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -122.83 138.75 54.56 Favored 'General case' 1 N--CA 1.373 -4.278 0 O-C-N 125.251 1.594 . . . . 0.0 111.062 166.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . 0.571 HG22 HG13 ' E' ' 5' ' ' VAL . 87.2 t -126.28 122.89 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 113.173 -1.831 . . . . 0.0 109.9 170.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . 0.3 29.4 ttmt -120.64 136.42 54.84 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 123.767 1.746 . . . . 0.0 106.89 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.25 116.25 44.97 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 O-C-N 118.954 -2.341 . . . . 0.0 108.629 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -108.16 130.14 55.14 Favored 'General case' 0 CA--C 1.483 -1.613 0 CA-C-O 126.666 3.127 . . . . 0.0 111.225 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 49.0 t -95.82 120.39 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.501 0 O-C-N 117.885 -3.009 . . . . 0.0 105.39 172.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.345 0 CA-C-N 123.846 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.529 3.516 0 CA-C-O 122.942 1.353 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -117.61 138.06 52.2 Favored 'General case' 0 C--N 1.281 -2.407 0 C-N-CA 125.987 1.715 . . . . 0.0 109.492 -171.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.487 HG11 HG11 ' C' ' 9' ' ' VAL . 75.0 t -118.19 119.34 61.06 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.726 0 N-CA-C 102.225 -3.25 . . . . 0.0 102.225 170.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -109.49 135.24 50.81 Favored 'General case' 0 C--O 1.277 2.547 0 C-N-CA 128.979 2.912 . . . . 0.0 111.954 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 52.6 t -127.74 136.56 60.05 Favored 'Isoleucine or valine' 0 C--O 1.273 2.31 0 N-CA-C 102.419 -3.178 . . . . 0.0 102.419 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.29 160.38 41.11 Favored 'General case' 0 CA--C 1.454 -2.744 0 O-C-N 117.444 -3.285 . . . . 0.0 104.201 165.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -154.28 138.64 9.36 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 118.268 -2.77 . . . . 0.0 112.029 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -107.89 123.55 48.77 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 127.11 2.164 . . . . 0.0 105.712 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.37 108.87 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 127.411 2.285 . . . . 0.0 108.022 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -85.19 14.53 2.45 Favored 'Trans proline' 0 C--N 1.39 2.716 0 CA-C-N 122.896 2.07 . . . . 0.0 109.133 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -105.55 132.31 51.86 Favored 'General case' 0 C--O 1.259 1.58 0 CA-C-O 128.413 3.959 . . . . 0.0 109.015 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -122.77 127.46 49.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 118.756 -2.465 . . . . 0.0 108.181 -171.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -109.66 133.47 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -131.64 142.34 49.84 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 118.024 -2.922 . . . . 0.0 113.723 168.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 65.9 t -142.87 122.79 9.65 Favored 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -123.12 111.55 16.67 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 123.122 1.439 . . . . 0.0 107.544 -178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.01 122.19 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.369 0 O-C-N 117.773 -3.079 . . . . 0.0 105.716 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -99.85 102.72 14.22 Favored 'General case' 0 CA--C 1.603 3.0 0 CA-C-O 126.111 2.862 . . . . 0.0 104.961 169.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 4.9 m -84.17 -22.85 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.475 0 O-C-N 116.632 -3.793 . . . . 0.0 108.634 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.655 0 O-C-N 123.834 0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.538 3.965 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -143.42 128.61 18.72 Favored 'General case' 0 CA--C 1.463 -2.4 0 C-N-CA 129.711 3.204 . . . . 0.0 107.849 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -119.49 120.94 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 117.671 -3.143 . . . . 0.0 104.684 161.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -126.81 121.01 30.7 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 125.562 1.545 . . . . 0.0 107.684 172.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 54.2 t -128.37 126.49 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -133.75 113.49 12.37 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -164.02 158.41 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 C-N-CA 114.651 -2.819 . . . . 0.0 106.496 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -133.63 134.71 43.54 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 117.943 -2.973 . . . . 0.0 112.069 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -146.9 138.88 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.989 0 CA-C-O 115.457 -2.211 . . . . 0.0 108.859 -158.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -105.45 21.04 0.11 Allowed 'Trans proline' 0 CA--C 1.461 -3.172 0 CA-C-N 122.929 2.082 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -120.9 142.7 49.45 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.688 -174.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -117.65 126.46 52.55 Favored 'General case' 0 CA--C 1.563 1.475 0 O-C-N 126.434 2.334 . . . . 0.0 107.011 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.37 122.63 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 126.553 1.941 . . . . 0.0 106.882 -162.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -134.27 130.91 37.79 Favored 'General case' 0 N--CA 1.528 3.467 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 52.3 t -121.05 124.58 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 130.693 3.597 . . . . 0.0 104.264 168.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -131.44 113.66 13.99 Favored 'General case' 0 C--N 1.416 3.485 0 O-C-N 117.935 -2.978 . . . . 0.0 110.742 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.18 121.34 63.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 118.287 -2.758 . . . . 0.0 103.818 -170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -122.13 125.39 46.06 Favored 'General case' 0 C--N 1.372 1.585 1 O-C-N 116.16 -4.087 . . . . 0.0 101.415 179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.65 -63.71 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.927 0 O-C-N 120.162 -1.586 . . . . 0.0 108.063 -173.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 O-C-N 119.73 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 20' ' ' VAL . 18.5 t . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.253 74.0 mttt -127.06 108.89 11.32 Favored 'General case' 0 N--CA 1.527 3.408 0 CA-C-N 112.158 -2.292 . . . . 0.0 105.162 -174.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -119.23 133.33 66.41 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.148 0 CA-C-N 114.601 -1.181 . . . . 0.0 108.195 -173.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -115.74 139.33 50.26 Favored 'General case' 0 N--CA 1.526 3.369 0 CA-C-O 116.465 -1.731 . . . . 0.0 107.189 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.18 133.34 58.2 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.942 0 O-C-N 124.42 1.075 . . . . 0.0 109.683 156.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . 78.6 tttt -117.19 119.1 34.16 Favored 'General case' 0 C--O 1.209 -1.037 0 O-C-N 119.571 -1.955 . . . . 0.0 110.316 162.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG23 HG22 ' B' ' 14' ' ' VAL . 7.4 p -136.53 107.13 5.73 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 1 O-C-N 116.279 -4.013 . . . . 0.0 118.15 -167.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -92.36 125.06 36.85 Favored 'General case' 0 N--CA 1.415 -2.187 0 C-N-CA 124.401 1.08 . . . . 0.0 111.804 167.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HG23 ' E' ' 20' ' ' VAL . 2.9 p -143.88 132.88 19.52 Favored 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 -172.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -98.34 5.12 1.22 Allowed 'Trans proline' 0 C--N 1.382 2.313 0 O-C-N 123.842 1.443 . . . . 0.0 109.815 -167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -123.34 147.28 47.2 Favored 'General case' 0 C--O 1.294 3.418 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.195 -164.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -132.46 143.94 50.13 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-O 118.608 -0.711 . . . . 0.0 111.445 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' HB ' HG13 ' A' ' 7' ' ' VAL . 7.0 t -140.04 130.17 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.639 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -169.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -119.3 139.1 52.48 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 119.602 -1.936 . . . . 0.0 111.249 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.1 139.83 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.47 0 CA-C-O 123.238 1.494 . . . . 0.0 111.886 -176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -125.53 118.68 26.29 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.933 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 t -118.61 131.17 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.791 0 CA-C-O 125.783 2.706 . . . . 0.0 103.953 -167.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -132.28 134.8 45.7 Favored 'General case' 0 N--CA 1.389 -3.509 0 CA-C-N 112.55 -2.114 . . . . 0.0 109.006 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 HG21 ' E' ' 12' ' ' THR 0.316 32.0 t -142.65 117.75 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.774 0 CA-C-O 126.846 3.212 . . . . 0.0 104.935 -173.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.11 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.507 2.375 0 CA-C-O 123.014 1.388 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -118.13 133.4 55.93 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.279 -2.138 . . . . 0.0 112.399 165.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.265 97.3 t -122.74 119.84 59.14 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 C-N-CA 129.023 2.929 . . . . 0.0 110.986 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -99.2 128.09 45.28 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 161.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.7 t -121.55 135.55 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.003 0 C-N-CA 126.704 2.001 . . . . 0.0 112.263 166.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -135.46 148.9 49.41 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.12 146.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.755 0 C-N-CA 117.552 -1.659 . . . . 0.0 110.143 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -145.73 130.58 18.14 Favored 'General case' 0 N--CA 1.409 -2.5 0 CA-C-O 126.315 2.959 . . . . 0.0 106.749 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.17 110.07 4.68 Favored 'Isoleucine or valine' 0 C--O 1.277 2.525 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . 0.412 ' HA ' ' HD3' ' B' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 10' ' ' DPR . 37.4 Cg_exo -85.81 -23.47 2.09 Favored 'Trans proline' 0 N--CA 1.438 -1.794 0 C-N-CA 124.575 3.516 . . . . 0.0 114.542 173.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 m -72.3 113.37 9.27 Favored 'General case' 0 CA--C 1.477 -1.831 0 C-N-CA 128.211 2.605 . . . . 0.0 105.344 -171.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . 0.272 15.7 ptmt -123.15 137.0 55.01 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 125.981 2.801 . . . . 0.0 114.578 171.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 7' ' ' VAL . 32.9 t -151.93 140.59 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 -163.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 6' ' ' LYS . 7.3 ptmt -142.42 133.25 25.6 Favored 'General case' 0 C--O 1.263 1.794 0 N-CA-C 103.109 -2.923 . . . . 0.0 103.109 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . 0.251 18.9 t -119.55 134.39 63.27 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 125.488 1.515 . . . . 0.0 108.791 172.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -123.64 117.31 24.71 Favored 'General case' 0 CA--C 1.428 -3.744 0 N-CA-C 104.302 -2.481 . . . . 0.0 104.302 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.75 126.57 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 O-C-N 120.414 -1.429 . . . . 0.0 110.595 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -135.89 156.43 48.79 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 100.682 -3.822 . . . . 0.0 100.682 -175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 1' ' ' VAL 0.281 22.5 t -118.07 -47.27 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.336 0 O-C-N 119.242 -2.161 . . . . 0.0 108.259 -178.031 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.305 0 CA-C-N 123.549 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.345 0.2 OUTLIER . . . . . 0 CA--C 1.494 -1.209 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' D' ' 19' ' ' LYS . 80.1 mttt -124.66 115.36 20.66 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 128.076 2.551 . . . . 0.0 109.147 -175.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -123.83 117.66 51.75 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 126.877 2.071 . . . . 0.0 109.001 -176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -106.3 120.29 41.46 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 116.67 -1.633 . . . . 0.0 108.647 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.07 136.33 43.89 Favored 'Isoleucine or valine' 0 C--N 1.394 2.516 0 CA-C-N 121.907 2.14 . . . . 0.0 110.752 172.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -135.54 127.97 30.44 Favored 'General case' 0 N--CA 1.409 -2.521 0 CA-C-N 120.43 1.468 . . . . 0.0 109.85 164.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.461 HG23 HG22 ' D' ' 14' ' ' VAL . 7.2 p -134.45 130.1 53.43 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 CA-C-O 130.674 5.035 . . . . 0.0 110.238 178.555 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -117.71 124.43 48.48 Favored 'General case' 0 CA--C 1.442 -3.18 0 CA-C-N 109.557 -3.474 . . . . 0.0 103.196 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.419 HG11 HG11 ' G' ' 3' ' ' VAL . 0.4 OUTLIER -156.82 158.95 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 118.155 -2.841 . . . . 0.0 106.899 -174.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.86 68.91 0.4 Allowed 'Trans proline' 0 N--CA 1.419 -2.873 0 C-N-CA 123.687 2.925 . . . . 0.0 111.643 146.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -150.94 135.09 16.79 Favored 'General case' 0 CA--C 1.436 -3.44 0 O-C-N 117.973 -2.954 . . . . 0.0 104.031 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -138.74 133.17 31.86 Favored 'General case' 0 N--CA 1.43 -1.464 1 O-C-N 114.877 -4.889 . . . . 0.0 113.101 171.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 139.6 50.47 Favored 'Isoleucine or valine' 0 C--N 1.371 1.52 0 O-C-N 119.181 -2.199 . . . . 0.0 110.988 -171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -134.23 116.22 15.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -111.53 130.4 65.15 Favored 'Isoleucine or valine' 1 N--CA 1.542 4.136 0 O-C-N 120.397 -1.439 . . . . 0.0 108.816 167.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -121.05 130.05 53.61 Favored 'General case' 0 N--CA 1.396 -3.155 0 O-C-N 117.141 -3.474 . . . . 0.0 111.583 165.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.98 118.05 50.65 Favored 'Isoleucine or valine' 0 C--O 1.275 2.396 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -113.86 122.9 48.42 Favored 'General case' 0 CA--C 1.476 -1.869 0 O-C-N 116.911 -3.618 . . . . 0.0 108.966 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -80.4 -62.31 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.56 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 121.536 1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 CA--C 1.479 -1.778 0 CA-C-O 121.728 0.775 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -134.41 153.7 51.77 Favored 'General case' 0 CA--C 1.442 -3.198 0 O-C-N 118.396 -2.69 . . . . 0.0 108.405 165.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -149.34 151.11 13.26 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 O-C-N 123.656 0.597 . . . . 0.0 109.793 -175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.07 143.88 34.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 O-C-N 119.561 -1.962 . . . . 0.0 108.689 -172.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.09 136.65 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.661 0 CA-C-N 121.677 2.035 . . . . 0.0 110.86 167.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -141.2 136.61 31.92 Favored 'General case' 0 C--N 1.372 1.581 0 N-CA-C 103.56 -2.756 . . . . 0.0 103.56 -167.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' D' ' 14' ' ' VAL . 1.8 p -142.72 125.34 13.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -130.72 120.36 23.73 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 113.96 -1.473 . . . . 0.0 112.374 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -135.51 104.95 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 1 N-CA-C 99.462 -4.274 . . . . 0.0 99.462 177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -65.72 -24.34 54.98 Favored 'Trans proline' 0 C--N 1.378 2.123 0 CA-C-N 121.873 1.704 . . . . 0.0 114.533 175.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -94.82 87.04 4.87 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 123.657 1.694 . . . . 0.0 115.325 -169.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -119.64 127.41 52.9 Favored 'General case' 0 N--CA 1.493 1.691 1 O-C-N 114.737 -4.977 . . . . 0.0 111.615 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.461 HG22 HG23 ' C' ' 7' ' ' VAL . 25.6 t -135.67 134.47 51.55 Favored 'Isoleucine or valine' 0 C--N 1.381 1.97 0 N-CA-C 103.032 -2.951 . . . . 0.0 103.032 -167.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -128.97 141.47 51.25 Favored 'General case' 0 C--O 1.28 2.695 0 C-N-CA 126.859 2.063 . . . . 0.0 108.361 170.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -139.67 141.01 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.695 0 N-CA-C 103.017 -2.957 . . . . 0.0 103.017 170.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -151.06 155.84 39.84 Favored 'General case' 0 N--CA 1.413 -2.295 0 C-N-CA 115.444 -2.502 . . . . 0.0 107.418 -178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.58 135.93 59.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.654 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -167.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' C' ' 2' ' ' LYS . 38.2 tptt -110.78 124.04 51.23 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-N 113.814 -1.539 . . . . 0.0 111.575 160.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.72 120.83 60.89 Favored 'Isoleucine or valine' 0 C--O 1.295 3.487 0 N-CA-C 104.651 -2.352 . . . . 0.0 104.651 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 117.379 -3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' F' ' 20' ' ' VAL . 97.3 t . . . . . 0 CA--C 1.467 -2.238 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -108.44 143.1 37.83 Favored 'General case' 0 N--CA 1.406 -2.632 0 O-C-N 120.566 -1.334 . . . . 0.0 109.411 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.477 HG22 HG13 ' F' ' 18' ' ' VAL . 43.3 t -133.58 132.73 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.059 0 N-CA-C 103.222 -2.881 . . . . 0.0 103.222 171.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -137.81 144.3 41.45 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 117.58 -3.2 . . . . 0.0 102.771 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . 0.473 HG22 HG13 ' F' ' 16' ' ' VAL . 79.9 t -126.79 129.43 71.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.371 1 C-N-CA 133.888 4.875 . . . . 0.0 105.589 168.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -113.99 140.04 48.76 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . 0.425 HG23 HG22 ' F' ' 12' ' ' THR . 1.4 p -127.01 132.04 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.066 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 168.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -117.78 129.65 55.81 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 116.758 -3.714 . . . . 0.0 109.191 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.35 118.96 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.509 0 CA-C-O 116.906 -1.521 . . . . 0.0 107.008 169.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -57.07 -20.27 36.73 Favored 'Trans proline' 0 N--CA 1.513 2.676 0 N-CA-C 120.357 3.176 . . . . 0.0 120.357 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 20' ' ' VAL . 51.0 m -114.75 129.29 56.67 Favored 'General case' 0 C--N 1.276 -2.62 0 O-C-N 128.103 3.377 . . . . 0.0 108.125 -163.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -124.28 139.49 53.86 Favored 'General case' 0 C--O 1.262 1.754 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.942 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -137.05 134.58 47.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.591 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -136.12 138.35 41.95 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-O 124.278 1.989 . . . . 0.0 105.639 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.89 120.8 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 116.482 -2.087 . . . . 0.0 109.358 -176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -109.24 131.81 54.72 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 119.439 1.018 . . . . 0.0 108.308 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.4 t -118.58 144.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.387 2.22 0 O-C-N 121.279 -0.888 . . . . 0.0 108.718 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -142.67 170.31 15.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 127.709 3.624 . . . . 0.0 109.439 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 9' ' ' VAL . 24.9 t -100.58 132.12 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 1 O-C-N 115.984 -4.198 . . . . 0.0 104.132 177.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.846 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -147.58 144.83 28.74 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 119.876 -1.765 . . . . 0.0 109.334 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.86 118.8 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 O-C-N 119.838 -1.789 . . . . 0.0 113.648 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.38 126.23 54.05 Favored 'General case' 0 C--N 1.399 2.75 0 CA-C-O 121.94 0.876 . . . . 0.0 111.197 166.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.58 137.78 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 127.794 2.437 . . . . 0.0 106.207 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -137.91 124.26 20.61 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.981 2.051 . . . . 0.0 109.979 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.63 142.43 18.71 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.6 1 C-N-CA 109.77 -4.772 . . . . 0.0 104.432 -177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -115.16 107.12 14.88 Favored 'General case' 0 N--CA 1.42 -1.929 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -109.47 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 CA-C-N 113.129 -1.851 . . . . 0.0 108.589 -176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -69.67 -12.03 32.2 Favored 'Trans proline' 0 C--N 1.367 1.527 1 C-N-CA 127.486 5.457 . . . . 0.0 112.888 -177.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . 0.425 HG22 HG23 ' E' ' 7' ' ' VAL . 0.4 OUTLIER -82.54 127.68 33.56 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.019 1.728 . . . . 0.0 109.286 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.37 123.67 48.71 Favored 'General case' 0 C--O 1.287 3.031 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.311 158.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 96.6 t -125.93 131.88 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.007 0 CA-C-O 127.157 3.36 . . . . 0.0 113.93 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -122.33 125.66 46.42 Favored 'General case' 0 CA--C 1.45 -2.884 0 CA-C-N 111.631 -2.531 . . . . 0.0 107.657 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . 0.473 HG13 HG22 ' E' ' 5' ' ' VAL . 6.1 t -115.67 135.97 54.02 Favored 'Isoleucine or valine' 0 C--N 1.389 2.291 0 O-C-N 117.179 -3.451 . . . . 0.0 106.291 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -134.0 123.68 24.99 Favored 'General case' 0 N--CA 1.406 -2.653 1 O-C-N 114.618 -5.051 . . . . 0.0 106.025 173.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.477 HG13 HG22 ' E' ' 3' ' ' VAL . 29.8 t -122.79 123.82 69.09 Favored 'Isoleucine or valine' 0 C--N 1.398 2.708 0 N-CA-C 103.639 -2.726 . . . . 0.0 103.639 177.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -142.5 116.77 9.55 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -162.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' E' ' 1' ' ' VAL . 75.3 t -87.89 141.95 13.61 Favored 'Isoleucine or valine' 0 C--N 1.385 2.122 0 CA-C-N 111.871 -2.422 . . . . 0.0 105.841 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.871 0 O-C-N 121.139 -0.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.199 -1.381 . . . . 0.0 112.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -113.24 126.57 55.56 Favored 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 123.902 1.81 . . . . 0.0 108.196 -172.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.419 HG11 HG11 ' C' ' 9' ' ' VAL . 97.1 t -109.16 112.93 42.64 Favored 'Isoleucine or valine' 0 C--N 1.379 1.873 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -119.06 122.86 43.09 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 124.918 2.294 . . . . 0.0 105.429 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.48 135.01 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 O-C-N 118.499 -2.626 . . . . 0.0 108.704 172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -129.04 147.03 50.86 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 118.383 -2.698 . . . . 0.0 111.114 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.459 14.5 p -145.13 143.99 21.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 175.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.85 124.39 49.39 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 130.598 3.559 . . . . 0.0 102.469 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 t -132.7 110.49 15.86 Favored 'Isoleucine or valine' 0 C--O 1.279 2.657 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.165 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . 0.416 ' HA ' ' HD2' ' G' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' G' ' 10' ' ' DPR . 4.1 Cg_endo -70.92 -7.35 21.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 1 C-N-CA 126.206 4.604 . . . . 0.0 116.519 174.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -76.84 133.44 39.34 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 117.682 -3.136 . . . . 0.0 115.442 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -115.79 128.81 56.12 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 119.725 -1.859 . . . . 0.0 110.731 170.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.15 133.9 67.06 Favored 'Isoleucine or valine' 0 C--N 1.391 2.4 0 N-CA-C 102.044 -3.317 . . . . 0.0 102.044 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . 0.264 23.3 mtmt -123.64 132.36 53.84 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 159.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 t -128.68 126.87 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 124.84 1.338 . . . . 0.0 110.257 -173.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -139.64 123.89 17.96 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 104.735 -2.32 . . . . 0.0 104.735 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.65 135.42 63.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -116.01 101.28 8.61 Favored 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.72 -1.34 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 117.388 -3.32 . . . . 0.0 114.746 -154.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.603 0 CA-C-N 125.643 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.512 2.67 0 CA-C-O 126.811 3.196 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -136.11 141.77 44.21 Favored 'General case' 0 N--CA 1.424 -1.748 0 O-C-N 116.751 -3.718 . . . . 0.0 104.072 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -131.17 117.95 38.93 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.413 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 163.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -120.12 108.43 14.24 Favored 'General case' 0 CA--C 1.451 -2.84 0 O-C-N 128.148 3.405 . . . . 0.0 114.666 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -116.71 127.4 74.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 O-C-N 120.368 -1.458 . . . . 0.0 110.371 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -137.89 122.36 18.4 Favored 'General case' 0 C--O 1.176 -2.779 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . 0.478 HG22 ' N ' ' H' ' 8' ' ' LYS . 14.7 p -157.67 166.82 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.533 3.703 0 CA-C-O 122.898 1.332 . . . . 0.0 110.598 169.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . 0.478 ' N ' HG22 ' H' ' 7' ' ' VAL . 51.5 pttt -133.86 138.5 45.65 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 166.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.12 21.76 Favored 'Isoleucine or valine' 0 C--N 1.391 2.391 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.697 -168.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -96.02 12.37 1.25 Allowed 'Trans proline' 0 N--CA 1.423 -2.619 0 C-N-CA 124.779 3.653 . . . . 0.0 109.184 177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -108.15 156.7 19.01 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 124.846 3.475 . . . . 0.0 112.376 -169.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -129.12 131.73 47.27 Favored 'General case' 0 N--CA 1.413 -2.314 0 CA-C-O 117.833 -1.08 . . . . 0.0 109.028 171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 23.1 t -130.2 127.18 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.74 0 N-CA-C 103.526 -2.768 . . . . 0.0 103.526 -164.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -132.33 132.54 43.02 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 122.865 2.575 . . . . 0.0 111.34 168.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.5 135.27 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 124.813 1.245 . . . . 0.0 107.971 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -145.12 128.18 16.58 Favored 'General case' 0 N--CA 1.527 3.413 0 CA-C-O 125.431 2.539 . . . . 0.0 107.195 169.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.59 125.04 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 C-N-CA 126.888 2.075 . . . . 0.0 108.402 170.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -125.32 120.07 30.14 Favored 'General case' 0 CA--C 1.472 -2.035 0 CA-C-O 124.142 1.925 . . . . 0.0 109.882 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 5.9 t -94.85 -54.8 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.521 1 O-C-N 114.166 -5.334 . . . . 0.0 115.167 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.162 0 O-C-N 116.359 -3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 81.5 t . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -127.18 132.28 50.53 Favored 'General case' 0 CA--C 1.594 2.635 0 O-C-N 119.607 -1.933 . . . . 0.0 106.608 -173.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.1 t -130.42 141.49 46.15 Favored 'Isoleucine or valine' 0 C--N 1.36 1.036 0 C-N-CA 118.259 -1.376 . . . . 0.0 107.311 168.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -127.08 130.21 49.46 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 126.829 2.052 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 HG22 ' B' ' 16' ' ' VAL . 2.0 t -123.82 138.11 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.091 0 C-N-CA 127.646 2.378 . . . . 0.0 110.389 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -126.84 131.02 51.31 Favored 'General case' 0 N--CA 1.394 -3.259 0 C-N-CA 130.026 3.33 . . . . 0.0 116.876 165.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG23 HG22 ' B' ' 14' ' ' VAL . 7.2 p -143.24 143.58 24.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 117.244 -3.41 . . . . 0.0 111.12 -167.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -130.66 133.88 46.48 Favored 'General case' 0 N--CA 1.407 -2.604 0 O-C-N 119.306 -2.121 . . . . 0.0 105.279 164.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -143.4 141.65 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 114.308 -2.758 . . . . 0.0 109.474 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -98.79 51.29 0.07 OUTLIER 'Trans proline' 0 N--CA 1.406 -3.637 0 C-N-CA 123.558 2.838 . . . . 0.0 113.558 172.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -146.45 148.0 31.81 Favored 'General case' 0 N--CA 1.51 2.57 0 O-C-N 117.902 -2.999 . . . . 0.0 106.492 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -133.67 158.58 42.89 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 118.286 2.699 . . . . 0.0 118.286 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.6 149.05 21.49 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 124.076 1.893 . . . . 0.0 110.193 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -134.33 124.64 26.14 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 119.449 -2.032 . . . . 0.0 106.833 157.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.42 138.98 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.185 0 CA-C-N 114.575 -1.193 . . . . 0.0 113.515 -166.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -124.64 132.94 53.39 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 125.325 1.641 . . . . 0.0 112.138 -169.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.8 110.18 25.9 Favored 'Isoleucine or valine' 0 C--N 1.386 2.181 0 N-CA-C 102.575 -3.12 . . . . 0.0 102.575 -172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -121.71 115.24 22.35 Favored 'General case' 0 C--N 1.277 -2.555 0 O-C-N 117.985 -2.947 . . . . 0.0 110.572 -174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -117.2 94.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.785 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.141 0 O-C-N 118.238 -2.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.535 3.803 0 N-CA-C 120.622 3.564 . . . . 0.0 120.622 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -135.46 117.26 15.1 Favored 'General case' 0 C--N 1.39 2.336 1 C-N-CA 133.203 4.601 . . . . 0.0 106.514 -166.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.543 HG22 HG13 ' C' ' 18' ' ' VAL . 74.6 t -126.5 150.37 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.473 0 CA-C-O 126.281 2.943 . . . . 0.0 109.949 -171.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -138.76 126.79 22.5 Favored 'General case' 0 N--CA 1.408 -2.548 0 N-CA-C 102.145 -3.28 . . . . 0.0 102.145 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -119.52 138.68 49.36 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -129.26 158.55 38.74 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 118.649 -2.532 . . . . 0.0 107.628 167.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.49 149.84 13.68 Favored 'Isoleucine or valine' 0 C--O 1.26 1.628 0 CA-C-N 111.343 -2.662 . . . . 0.0 109.548 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -138.19 113.76 9.65 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 115.041 -2.409 . . . . 0.0 111.649 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.93 113.55 31.35 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.162 0 CA-C-N 123.416 2.826 . . . . 0.0 109.571 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.78 -28.49 82.33 Favored 'Trans proline' 0 N--CA 1.422 -2.69 1 CA-C-N 129.965 4.595 . . . . 0.0 116.418 174.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -78.04 140.0 39.12 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 124.267 1.984 . . . . 0.0 114.379 -174.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -144.02 129.51 19.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 124.666 2.174 . . . . 0.0 111.852 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG22 HG23 ' A' ' 7' ' ' VAL . 12.1 t -141.67 126.97 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.173 0 O-C-N 116.465 -3.897 . . . . 0.0 110.378 -164.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -137.81 127.84 25.79 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 119.137 -2.227 . . . . 0.0 113.447 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 5' ' ' VAL . 3.8 t -118.41 143.26 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.573 0 C-N-CA 127.423 2.289 . . . . 0.0 109.005 -169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -124.4 137.01 54.5 Favored 'General case' 0 CA--C 1.45 -2.875 0 O-C-N 118.203 -2.811 . . . . 0.0 105.019 171.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -125.87 116.39 45.89 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 N-CA-C 101.337 -3.579 . . . . 0.0 101.337 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -122.24 143.14 49.78 Favored 'General case' 0 C--O 1.195 -1.789 0 CA-C-O 125.364 2.507 . . . . 0.0 107.617 169.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.83 -57.93 4.18 Favored 'Isoleucine or valine' 0 C--N 1.393 2.499 1 O-C-N 115.511 -4.493 . . . . 0.0 108.125 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.283 0 O-C-N 124.554 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.526 3.327 0 CA-C-O 123.256 1.503 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -130.95 134.16 46.48 Favored 'General case' 0 CA--C 1.466 -2.279 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 -172.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.633 HG21 HG13 ' G' ' 9' ' ' VAL . 97.5 t -114.63 126.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.181 0 C-N-CA 131.486 3.914 . . . . 0.0 110.304 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . 0.252 93.6 mttt -131.52 120.87 23.53 Favored 'General case' 0 C--O 1.281 2.712 0 C-N-CA 126.421 1.888 . . . . 0.0 106.134 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -116.19 130.51 70.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.87 128.48 55.83 Favored 'General case' 0 CA--C 1.568 1.636 0 O-C-N 119.719 -1.863 . . . . 0.0 115.291 156.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.51 127.72 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.741 0 CA-C-O 116.292 -1.814 . . . . 0.0 111.074 170.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.87 120.09 38.8 Favored 'General case' 0 C--O 1.271 2.221 0 CA-C-N 120.829 1.65 . . . . 0.0 107.621 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 m -149.73 143.53 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 117.149 -3.47 . . . . 0.0 112.027 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -119.35 42.05 0.0 OUTLIER 'Trans proline' 1 N--CA 1.383 -5.019 0 O-C-N 125.191 2.153 . . . . 0.0 111.97 170.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 24.1 m -139.68 146.91 40.25 Favored 'General case' 0 CA--C 1.593 2.611 0 O-C-N 117.475 -3.265 . . . . 0.0 108.783 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -121.35 138.26 54.33 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 121.808 2.095 . . . . 0.0 106.676 167.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.84 146.9 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.063 0 O-C-N 124.716 1.26 . . . . 0.0 108.495 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -138.66 131.81 29.9 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 123.111 1.434 . . . . 0.0 108.313 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 67.3 t -122.65 134.33 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.694 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.491 177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -134.43 139.48 45.58 Favored 'General case' 0 C--N 1.401 2.814 0 O-C-N 127.235 2.835 . . . . 0.0 107.706 165.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.543 HG13 HG22 ' B' ' 3' ' ' VAL . 40.7 t -138.91 126.93 27.62 Favored 'Isoleucine or valine' 0 C--O 1.252 1.196 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -107.44 129.2 54.96 Favored 'General case' 1 C--O 1.314 4.481 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 169.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 23.2 t -89.53 -81.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.116 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.67 0 O-C-N 126.094 2.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.532 3.663 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -125.14 124.56 42.07 Favored 'General case' 0 N--CA 1.412 -2.364 1 O-C-N 115.984 -4.197 . . . . 0.0 110.863 172.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.97 134.42 55.67 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.285 0 CA-C-O 125.737 2.684 . . . . 0.0 112.462 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -123.24 127.81 49.12 Favored 'General case' 0 CA--C 1.492 -1.282 0 O-C-N 116.566 -3.834 . . . . 0.0 109.019 -172.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.62 126.28 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 105.737 -1.949 . . . . 0.0 105.737 174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -127.0 129.84 48.88 Favored 'General case' 0 C--N 1.381 1.937 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.89 127.97 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.78 0 CA-C-O 123.594 1.664 . . . . 0.0 112.811 160.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -135.83 110.46 8.62 Favored 'General case' 0 C--N 1.366 1.298 0 CA-C-O 127.687 3.613 . . . . 0.0 111.419 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.85 101.05 11.89 Favored 'Isoleucine or valine' 0 C--N 1.39 2.33 0 O-C-N 118.175 -2.828 . . . . 0.0 107.313 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -70.75 -11.57 29.73 Favored 'Trans proline' 1 N--CA 1.394 -4.352 0 N-CA-C 118.11 2.311 . . . . 0.0 118.11 176.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 91.5 m -91.84 104.37 16.82 Favored 'General case' 0 C--O 1.178 -2.675 0 C-N-CA 128.17 2.588 . . . . 0.0 110.032 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -131.09 133.91 46.1 Favored 'General case' 0 C--O 1.269 2.109 0 O-C-N 116.375 -3.953 . . . . 0.0 112.808 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.49 130.32 42.69 Favored 'Isoleucine or valine' 0 C--N 1.4 2.768 0 O-C-N 119.69 -1.881 . . . . 0.0 107.373 -177.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -128.12 133.79 49.03 Favored 'General case' 0 N--CA 1.392 -3.33 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . 0.296 58.8 t -135.8 132.03 50.63 Favored 'Isoleucine or valine' 0 C--O 1.272 2.255 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -144.12 128.27 17.65 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 123.251 1.501 . . . . 0.0 111.849 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.2 t -128.33 126.55 66.02 Favored 'Isoleucine or valine' 0 CA--C 1.457 -2.607 0 CA-C-O 127.724 3.631 . . . . 0.0 107.493 -171.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -103.59 122.97 46.09 Favored 'General case' 0 CA--C 1.471 -2.091 0 O-C-N 116.817 -3.677 . . . . 0.0 110.821 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.9 132.83 70.62 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.396 0 N-CA-C 103.744 -2.687 . . . . 0.0 103.744 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.374 1.651 0 CA-C-N 115.341 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . 0.433 HG22 HG22 ' F' ' 20' ' ' VAL . 73.9 t . . . . . 0 CA--C 1.466 -2.256 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -123.99 126.9 47.11 Favored 'General case' 0 C--O 1.17 -3.11 0 C-N-CA 125.154 1.382 . . . . 0.0 110.098 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 t -120.72 132.41 70.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.995 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -137.08 115.27 11.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 122.896 1.332 . . . . 0.0 112.69 -171.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 56.2 t -112.2 114.85 48.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.933 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.75 126.35 54.96 Favored 'General case' 0 N--CA 1.404 -2.735 0 CA-C-O 113.991 -2.909 . . . . 0.0 109.111 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.71 138.07 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 126.608 3.099 . . . . 0.0 107.654 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -128.17 123.66 34.91 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 111.706 -2.497 . . . . 0.0 105.338 -173.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.58 118.39 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.762 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.276 175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -66.87 -33.4 33.57 Favored 'Trans proline' 0 N--CA 1.444 -1.392 1 CA-C-N 128.78 4.171 . . . . 0.0 113.751 176.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . 0.3 85.5 m -76.32 128.4 34.8 Favored 'General case' 0 C--O 1.255 1.379 0 C-N-CA 129.948 3.299 . . . . 0.0 109.97 -171.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.39 125.89 30.09 Favored 'General case' 0 N--CA 1.417 -2.081 0 O-C-N 119.602 -1.937 . . . . 0.0 109.463 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.36 121.36 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.832 0 C-N-CA 126.868 2.067 . . . . 0.0 111.281 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -105.25 130.97 53.27 Favored 'General case' 0 C--N 1.396 2.606 0 O-C-N 117.632 -3.168 . . . . 0.0 106.521 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -122.0 127.44 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.6 2.885 0 CA-C-N 113.366 -1.743 . . . . 0.0 108.21 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -120.28 124.33 45.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -127.64 139.3 52.28 Favored 'Isoleucine or valine' 0 CA--C 1.442 -3.203 0 C-N-CA 127.261 2.225 . . . . 0.0 109.066 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . 0.304 53.4 pttt -164.74 173.33 11.94 Favored 'General case' 0 C--O 1.198 -1.645 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.27 111.79 19.18 Favored 'Isoleucine or valine' 0 C--N 1.368 1.384 0 CA-C-O 127.663 3.601 . . . . 0.0 110.704 169.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.458 5.296 1 O-C-N 111.954 -6.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.427 -1.606 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -134.74 140.52 45.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 117.542 -3.224 . . . . 0.0 108.19 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 4.8 t -138.41 117.55 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.255 0 O-C-N 120.273 -1.517 . . . . 0.0 107.011 -168.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -114.67 132.61 56.34 Favored 'General case' 0 N--CA 1.398 -3.033 1 O-C-N 115.703 -4.373 . . . . 0.0 111.285 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -129.3 142.54 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 1 O-C-N 113.719 -5.613 . . . . 0.0 100.438 175.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -129.35 138.35 51.49 Favored 'General case' 0 C--O 1.195 -1.764 1 C-N-CA 131.755 4.022 . . . . 0.0 109.724 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.01 137.7 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.942 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -113.88 123.55 50.04 Favored 'General case' 0 C--O 1.17 -3.098 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 164.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' F' ' 10' ' ' DPR . 65.6 t -128.89 119.17 48.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 C-N-CA 129.03 2.932 . . . . 0.0 109.361 -165.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . 0.465 ' HD3' ' HA ' ' F' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -85.29 -1.47 9.21 Favored 'Trans proline' 0 CA--C 1.582 2.894 0 CA-C-N 123.888 2.424 . . . . 0.0 112.288 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -73.65 134.1 43.56 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.532 1.533 . . . . 0.0 107.692 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.27 123.73 40.87 Favored 'General case' 0 C--N 1.408 3.125 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -116.12 131.52 68.39 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 CA-C-O 124.189 1.947 . . . . 0.0 109.536 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -115.93 134.76 54.65 Favored 'General case' 0 CA--C 1.475 -1.937 0 O-C-N 118.392 -2.693 . . . . 0.0 109.895 163.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -111.99 132.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 125.323 1.64 . . . . 0.0 107.113 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -118.96 125.9 50.49 Favored 'General case' 0 N--CA 1.382 -3.84 0 C-N-CA 117.995 -1.482 . . . . 0.0 108.604 164.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . 0.311 2.8 t -100.57 101.12 11.65 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.884 0 C-N-CA 127.572 2.349 . . . . 0.0 112.249 162.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -122.68 121.12 35.64 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -175.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.433 HG22 HG22 ' E' ' 1' ' ' VAL . 26.2 t -114.67 127.34 72.22 Favored 'Isoleucine or valine' 0 C--N 1.41 3.236 0 O-C-N 126.68 2.487 . . . . 0.0 107.87 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.513 0 CA-C-N 114.928 -1.033 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -121.83 124.95 45.36 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.506 HG22 HG22 ' H' ' 18' ' ' VAL . 91.7 t -105.61 124.89 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.841 0 O-C-N 119.293 -2.129 . . . . 0.0 106.516 169.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -133.27 115.81 15.4 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 125.467 2.556 . . . . 0.0 109.827 -178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.42 133.13 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 130.011 3.324 . . . . 0.0 111.275 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -152.24 147.67 26.66 Favored 'General case' 0 N--CA 1.513 2.676 0 CA-C-O 114.4 -2.714 . . . . 0.0 112.104 -169.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . 0.252 14.6 p -148.94 150.55 13.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 1 O-C-N 130.46 4.85 . . . . 0.0 110.457 -179.032 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -111.7 131.84 55.02 Favored 'General case' 0 CA--C 1.455 -2.704 0 C-N-CA 126.702 2.001 . . . . 0.0 107.47 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . 0.633 HG13 HG21 ' C' ' 3' ' ' VAL . 4.9 t -140.25 102.94 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.478 1 O-C-N 116.247 -4.033 . . . . 0.0 108.717 -166.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -105.87 46.43 0.02 OUTLIER 'Trans proline' 0 CA--C 1.596 3.624 0 CA-C-N 122.414 1.898 . . . . 0.0 107.314 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -134.76 127.47 30.99 Favored 'General case' 0 N--CA 1.411 -2.379 0 C-N-CA 128.893 2.877 . . . . 0.0 105.494 -173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -122.71 133.18 54.5 Favored 'General case' 0 N--CA 1.415 -2.192 1 O-C-N 115.808 -4.307 . . . . 0.0 103.263 -171.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 t -119.45 133.29 66.74 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.91 0 C-N-CA 128.199 2.599 . . . . 0.0 111.297 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -141.53 124.89 16.55 Favored 'General case' 0 CA--C 1.587 2.378 0 CA-C-O 124.486 2.089 . . . . 0.0 108.889 174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 83.1 t -107.54 117.39 53.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.383 0 CA-C-N 110.357 -3.111 . . . . 0.0 109.026 172.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -118.63 116.74 27.23 Favored 'General case' 1 N--CA 1.54 4.041 0 CA-C-N 123.297 2.771 . . . . 0.0 109.362 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -124.27 124.45 68.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.1 0 O-C-N 120.411 -1.431 . . . . 0.0 110.122 -172.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -95.85 105.41 17.42 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.757 2.423 . . . . 0.0 105.333 168.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m -81.16 -32.24 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 CA-C-O 114.929 -2.462 . . . . 0.0 114.218 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.395 2.56 0 CA-C-N 120.459 1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 1 N--CA 1.546 4.334 0 CA-C-O 124.409 2.052 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -132.48 131.61 41.84 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 129.022 2.929 . . . . 0.0 111.228 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.11 90.22 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.935 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -118.15 119.58 35.16 Favored 'General case' 0 CA--C 1.479 -1.768 0 O-C-N 127.943 3.277 . . . . 0.0 109.733 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -140.22 119.47 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.866 0 C-N-CA 130.234 3.413 . . . . 0.0 108.826 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -123.38 121.99 37.15 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . 0.282 14.7 p -153.96 152.61 9.6 Favored 'Isoleucine or valine' 0 C--N 1.379 1.852 0 O-C-N 119.771 -1.83 . . . . 0.0 107.365 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -129.71 128.44 42.51 Favored 'General case' 0 CA--C 1.596 2.733 0 C-N-CA 129.059 2.944 . . . . 0.0 115.011 168.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -141.03 156.84 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.389 -3.483 0 CA-C-O 116.221 -1.847 . . . . 0.0 111.779 -173.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -111.69 23.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.288 -2.647 0 CA-C-N 126.394 3.319 . . . . 0.0 103.559 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -122.05 129.7 52.64 Favored 'General case' 0 C--N 1.4 2.802 0 CA-C-O 127.912 3.72 . . . . 0.0 108.254 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -108.88 117.35 33.96 Favored 'General case' 0 N--CA 1.526 3.331 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.21 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.84 132.44 69.56 Favored 'Isoleucine or valine' 0 C--N 1.398 2.697 1 C-N-CA 132.692 4.397 . . . . 0.0 108.513 -157.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -142.21 136.44 29.9 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 125.426 2.536 . . . . 0.0 111.592 164.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.24 134.16 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.835 0 CA-C-N 111.875 -2.421 . . . . 0.0 108.005 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -144.1 128.68 18.1 Favored 'General case' 0 N--CA 1.433 -1.281 1 O-C-N 115.728 -4.357 . . . . 0.0 112.363 174.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.506 HG22 HG22 ' G' ' 3' ' ' VAL . 31.8 t -118.14 129.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.38 1.905 0 CA-C-O 123.786 1.755 . . . . 0.0 109.467 160.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -113.38 128.73 56.55 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 127.943 2.497 . . . . 0.0 113.199 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.11 -65.27 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.918 0 CA-C-N 121.938 2.153 . . . . 0.0 109.229 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.02 0 CA-C-N 111.042 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.508 2.451 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -144.63 130.14 18.93 Favored 'General case' 0 CA--C 1.563 1.448 0 O-C-N 118.672 -2.517 . . . . 0.0 110.676 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 43.8 t -119.59 129.25 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.88 0 O-C-N 125.857 1.973 . . . . 0.0 108.91 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 34.0 mtpt -121.39 121.23 37.14 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-N 113.155 -1.839 . . . . 0.0 110.722 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . 0.286 12.1 t -129.22 124.71 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 O-C-N 120.085 -1.635 . . . . 0.0 109.731 -170.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -120.34 130.11 54.28 Favored 'General case' 0 N--CA 1.403 -2.805 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.46 126.71 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-O 123.006 1.384 . . . . 0.0 114.599 -174.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD2' ' HE3' ' B' ' 13' ' ' LYS . 86.2 mttt -112.65 101.92 10.02 Favored 'General case' 0 CA--C 1.463 -2.394 0 O-C-N 116.899 -3.626 . . . . 0.0 104.594 175.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' DPR . 5.2 p -116.44 132.62 65.52 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 C-N-CA 130.673 3.589 . . . . 0.0 110.051 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -99.07 17.29 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.01 2.473 . . . . 0.0 113.521 -178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -139.29 153.15 47.72 Favored 'General case' 0 CA--C 1.475 -1.918 0 CA-C-N 120.672 1.578 . . . . 0.0 108.708 -170.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -147.17 135.82 22.0 Favored 'General case' 0 C--N 1.279 -2.481 0 O-C-N 118.523 -2.611 . . . . 0.0 106.212 -161.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.97 153.74 18.92 Favored 'Isoleucine or valine' 1 N--CA 1.378 -4.047 0 CA-C-N 110.733 -2.94 . . . . 0.0 110.658 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.9 137.58 22.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 124.162 1.934 . . . . 0.0 109.025 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.81 153.18 7.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 118.01 -2.931 . . . . 0.0 109.598 -153.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -136.66 127.55 27.5 Favored 'General case' 0 N--CA 1.42 -1.967 1 O-C-N 115.793 -4.317 . . . . 0.0 113.026 -171.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 90.1 t -108.75 118.45 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-O 115.949 -1.977 . . . . 0.0 109.895 177.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -117.45 133.2 56.24 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 104.338 -2.467 . . . . 0.0 104.338 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 128.89 57.24 Favored 'Isoleucine or valine' 0 C--N 1.372 1.568 0 C-N-CA 128.529 2.732 . . . . 0.0 110.998 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.424 3.84 0 CA-C-N 113.728 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.41 HG11 ' OG1' ' G' ' 12' ' ' THR . 21.7 t . . . . . 0 N--CA 1.511 2.599 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -132.03 135.2 46.33 Favored 'General case' 0 C--N 1.419 3.6 0 O-C-N 124.188 0.93 . . . . 0.0 109.667 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t -132.15 139.12 50.95 Favored 'Isoleucine or valine' 0 C--O 1.28 2.693 0 CA-C-N 112.65 -2.068 . . . . 0.0 113.91 -170.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -129.88 140.33 51.0 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 170.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -135.31 125.36 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.261 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -119.62 144.85 46.91 Favored 'General case' 0 C--N 1.402 2.86 0 O-C-N 118.041 -2.912 . . . . 0.0 107.116 166.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.37 135.06 35.72 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 C-N-CA 126.551 1.94 . . . . 0.0 109.668 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -140.34 132.91 28.7 Favored 'General case' 0 C--O 1.196 -1.711 0 O-C-N 119.045 -2.284 . . . . 0.0 111.855 -167.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 t -148.32 118.94 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 114.77 -2.538 . . . . 0.0 112.035 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -67.91 -28.56 35.71 Favored 'Trans proline' 0 C--O 1.254 1.302 0 N-CA-C 117.148 1.942 . . . . 0.0 117.148 171.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . 0.286 56.3 m -55.92 115.51 2.44 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 116.333 -1.794 . . . . 0.0 115.326 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.426 ' HE3' ' HD2' ' A' ' 8' ' ' LYS . 49.0 pttt -139.82 132.47 28.88 Favored 'General case' 0 C--O 1.269 2.115 0 CA-C-N 123.316 2.78 . . . . 0.0 111.847 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.6 123.82 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 -163.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -118.65 132.32 56.18 Favored 'General case' 0 C--O 1.203 -1.381 0 CA-C-N 120.389 1.449 . . . . 0.0 113.341 161.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.67 141.64 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 125.644 1.578 . . . . 0.0 109.084 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -128.04 136.11 50.79 Favored 'General case' 0 CA--C 1.477 -1.857 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.18 127.58 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 O-C-N 120.734 -1.229 . . . . 0.0 111.327 -177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -140.64 143.05 34.96 Favored 'General case' 0 C--N 1.389 2.314 0 O-C-N 120.192 -1.568 . . . . 0.0 112.078 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -87.46 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.9 0 C-N-CA 129.079 2.951 . . . . 0.0 111.912 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.379 1.889 0 O-C-N 121.711 -0.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.531 3.585 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -112.42 141.96 45.53 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 131.776 4.031 . . . . 0.0 108.688 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -128.83 130.49 68.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 C-N-CA 126.144 1.778 . . . . 0.0 107.435 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -128.11 133.92 49.06 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 119.505 -1.997 . . . . 0.0 111.84 171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 t -136.8 118.5 19.11 Favored 'Isoleucine or valine' 0 C--N 1.373 1.63 0 C-N-CA 124.456 1.103 . . . . 0.0 109.231 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -126.29 123.21 37.57 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 125.592 1.807 . . . . 0.0 107.419 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.472 HG23 HG22 ' D' ' 14' ' ' VAL . 2.3 p -136.12 133.71 50.31 Favored 'Isoleucine or valine' 0 C--O 1.291 3.238 0 O-C-N 119.876 -1.765 . . . . 0.0 109.774 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -118.02 127.57 53.94 Favored 'General case' 0 N--CA 1.423 -1.807 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.468 HG12 HG23 ' D' ' 12' ' ' THR . 5.0 m -150.72 146.36 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 -177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -97.97 47.13 0.09 OUTLIER 'Trans proline' 0 CA--C 1.499 -1.238 0 CA-C-N 123.703 2.358 . . . . 0.0 110.615 160.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -125.95 140.02 52.97 Favored 'General case' 0 C--N 1.265 -3.077 1 O-C-N 115.142 -4.724 . . . . 0.0 118.584 162.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -122.53 136.57 54.92 Favored 'General case' 0 CA--C 1.46 -2.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.924 166.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.7 133.0 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 O-C-N 118.723 -2.486 . . . . 0.0 106.848 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -125.62 109.4 12.59 Favored 'General case' 0 N--CA 1.384 -3.738 0 O-C-N 117.417 -3.302 . . . . 0.0 109.701 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.04 127.75 70.13 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.458 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -132.58 135.69 46.07 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 126.716 3.151 . . . . 0.0 107.842 171.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -132.36 148.86 31.87 Favored 'Isoleucine or valine' 0 C--N 1.364 1.231 0 CA-C-O 126.185 2.897 . . . . 0.0 110.359 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -126.29 132.37 51.67 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 108.644 -3.889 . . . . 0.0 105.163 166.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 t -70.02 -48.8 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 118.758 2.873 . . . . 0.0 118.758 174.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.188 0 O-C-N 118.239 -2.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.417 -2.081 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -109.54 128.11 54.95 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 112.995 -3.384 . . . . 0.0 107.717 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 m -130.18 151.97 36.7 Favored 'Isoleucine or valine' 0 C--N 1.39 2.364 1 CA-C-O 129.509 4.481 . . . . 0.0 104.829 177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -146.49 143.26 28.82 Favored 'General case' 0 C--O 1.186 -2.237 0 O-C-N 117.775 -3.078 . . . . 0.0 112.136 -171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 t -129.35 123.53 58.15 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 C-N-CA 127.547 2.339 . . . . 0.0 107.686 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -123.5 133.71 53.98 Favored 'General case' 0 C--N 1.312 -1.039 1 O-C-N 116.239 -4.038 . . . . 0.0 109.652 170.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . 0.292 4.5 p -137.49 118.35 17.17 Favored 'Isoleucine or valine' 0 C--O 1.271 2.221 0 CA-C-O 125.421 2.534 . . . . 0.0 105.333 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -124.16 128.7 49.63 Favored 'General case' 0 N--CA 1.4 -2.971 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -139.18 102.05 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.472 -2.042 0 CA-C-N 113.085 -1.871 . . . . 0.0 107.496 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -58.96 -34.79 99.27 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 118.64 2.516 . . . . 0.0 118.64 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.468 HG23 HG12 ' C' ' 9' ' ' VAL . 58.9 m -81.5 113.6 19.66 Favored 'General case' 0 CA--C 1.468 -2.193 0 CA-C-N 123.129 2.695 . . . . 0.0 117.197 174.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -124.17 126.7 46.59 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-O 124.922 2.296 . . . . 0.0 110.633 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.472 HG22 HG23 ' C' ' 7' ' ' VAL . 96.7 t -143.76 136.6 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 1 O-C-N 114.759 -4.963 . . . . 0.0 105.702 -160.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -146.01 118.9 8.7 Favored 'General case' 0 N--CA 1.404 -2.746 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 49.3 t -103.4 148.79 7.96 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 170.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . 0.313 36.7 pttt -146.87 146.56 30.22 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 165.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -126.88 125.38 66.61 Favored 'Isoleucine or valine' 1 N--CA 1.559 5.006 0 C-N-CA 126.525 1.93 . . . . 0.0 110.663 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -111.83 113.78 26.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 119.85 -1.781 . . . . 0.0 108.913 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.98 126.9 72.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.258 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.475 -1.942 0 CA-C-O 122.398 1.094 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -124.52 129.81 51.31 Favored 'General case' 0 CA--C 1.481 -1.688 0 C-N-CA 128.053 2.541 . . . . 0.0 113.373 -167.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -124.42 121.31 61.33 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 N-CA-C 101.687 -3.449 . . . . 0.0 101.687 176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -139.54 129.46 24.87 Favored 'General case' 0 CA--C 1.562 1.407 0 O-C-N 118.64 -2.538 . . . . 0.0 110.84 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 55.1 t -138.56 140.24 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.131 0 CA-C-O 123.13 1.443 . . . . 0.0 108.1 -167.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . 0.283 72.6 tttt -144.4 126.0 15.05 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.141 -2.85 . . . . 0.0 111.696 -165.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.57 120.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.333 0 N-CA-C 120.898 3.666 . . . . 0.0 120.898 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -111.42 131.55 55.11 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 124.394 2.045 . . . . 0.0 109.085 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -140.66 120.97 13.24 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 CA-C-O 114.564 -2.636 . . . . 0.0 108.974 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -79.33 -17.8 11.36 Favored 'Trans proline' 0 CA--C 1.556 1.582 0 C-N-CA 124.919 3.746 . . . . 0.0 119.29 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 98.2 m -83.73 128.93 34.89 Favored 'General case' 0 C--N 1.374 1.644 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -133.78 121.16 21.45 Favored 'General case' 0 C--N 1.368 1.381 0 O-C-N 119.635 -1.916 . . . . 0.0 111.443 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 t -125.35 120.64 58.52 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.997 0 C-N-CA 128.024 2.53 . . . . 0.0 117.017 -168.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -130.71 110.0 11.04 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-O 125.243 2.449 . . . . 0.0 109.563 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . 0.303 0.4 OUTLIER -75.39 131.72 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.314 0 O-C-N 119.841 -1.787 . . . . 0.0 114.746 161.307 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -125.41 107.46 10.69 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 125.264 2.459 . . . . 0.0 112.868 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 t -109.43 129.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.626 0 O-C-N 119.739 -1.851 . . . . 0.0 106.805 -169.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.4 170.35 19.79 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 117.684 -3.135 . . . . 0.0 111.116 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.81 108.12 3.17 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 C-N-CA 128.609 2.763 . . . . 0.0 105.925 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.215 0 O-C-N 117.724 -3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.598 2.796 0 CA-C-O 125.091 2.377 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -134.46 131.39 38.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 109.893 -3.321 . . . . 0.0 103.183 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . 0.413 HG22 HG13 ' G' ' 18' ' ' VAL . 20.4 t -141.01 132.96 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.596 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -173.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -128.25 138.53 52.47 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . 0.524 HG13 HG22 ' G' ' 16' ' ' VAL . 10.3 t -134.6 123.48 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.78 0 O-C-N 120.209 -1.557 . . . . 0.0 109.229 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -120.21 134.2 55.31 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 120.435 -1.416 . . . . 0.0 109.279 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.66 138.35 20.78 Favored 'Isoleucine or valine' 0 C--N 1.377 1.765 0 CA-C-O 124.736 2.207 . . . . 0.0 108.323 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -121.16 122.16 39.39 Favored 'General case' 0 C--O 1.191 -1.987 0 O-C-N 118.098 -2.876 . . . . 0.0 109.095 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -134.81 118.0 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 100.898 -3.742 . . . . 0.0 100.898 -166.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -79.25 0.54 9.93 Favored 'Trans proline' 0 CA--C 1.591 3.353 0 CA-C-N 127.022 3.544 . . . . 0.0 118.091 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.84 122.56 43.63 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 117.77 -3.081 . . . . 0.0 108.829 -166.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.0 116.09 30.97 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 118.902 -2.374 . . . . 0.0 110.849 167.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -119.66 142.08 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 CA-C-O 115.058 -2.401 . . . . 0.0 111.108 -173.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -137.71 129.86 29.08 Favored 'General case' 0 C--O 1.259 1.571 1 O-C-N 130.751 5.032 . . . . 0.0 106.453 -175.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 t -127.73 124.75 63.89 Favored 'Isoleucine or valine' 0 C--N 1.38 1.904 0 N-CA-C 103.384 -2.821 . . . . 0.0 103.384 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -114.72 124.99 53.19 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-O 116.28 -1.819 . . . . 0.0 113.148 170.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -119.16 122.89 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 126.41 43.42 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 104.844 -2.28 . . . . 0.0 104.844 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.04 100.56 10.66 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.245 0 CA-C-O 128.015 3.769 . . . . 0.0 100.884 167.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.287 0 CA-C-N 112.225 -2.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 121.314 0.578 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . 0.294 77.9 mttt -119.15 141.07 49.15 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 125.572 2.606 . . . . 0.0 113.927 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -124.25 125.84 71.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 1 O-C-N 116.169 -4.082 . . . . 0.0 106.869 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -128.86 129.88 46.15 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-O 123.557 1.646 . . . . 0.0 109.011 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -142.84 137.42 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.386 -3.649 0 C-N-CA 127.996 2.518 . . . . 0.0 115.055 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -147.42 155.63 42.12 Favored 'General case' 0 N--CA 1.403 -2.816 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.749 -167.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.52 149.64 3.22 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 O-C-N 118.71 -2.494 . . . . 0.0 105.107 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.51 126.89 55.82 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 113.405 -1.725 . . . . 0.0 107.091 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -138.02 116.19 13.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.322 -2.103 . . . . 0.0 105.322 -170.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -102.7 46.1 0.04 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.063 1 C-N-CA 126.106 4.537 . . . . 0.0 107.678 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . 0.41 ' OG1' HG11 ' B' ' 1' ' ' VAL . 0.9 OUTLIER -118.5 110.58 17.57 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 128.812 2.845 . . . . 0.0 111.733 176.372 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -100.44 137.71 38.49 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -131.09 135.28 60.15 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 O-C-N 118.99 -2.319 . . . . 0.0 110.43 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -134.62 132.68 39.29 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.056 0.932 . . . . 0.0 112.785 162.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.524 HG22 HG13 ' F' ' 5' ' ' VAL . 53.0 t -111.5 125.39 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.135 0 O-C-N 119.217 -2.177 . . . . 0.0 107.082 166.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -122.99 115.74 22.39 Favored 'General case' 0 C--N 1.379 1.867 0 O-C-N 119.307 -2.12 . . . . 0.0 111.765 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.413 HG13 HG22 ' F' ' 3' ' ' VAL . 6.7 t -115.82 137.69 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 123.894 1.807 . . . . 0.0 110.374 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -108.36 90.34 3.27 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 129.3 3.04 . . . . 0.0 106.104 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 17.5 m -74.49 -32.23 29.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.338 0 O-C-N 125.692 1.87 . . . . 0.0 115.364 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 114.212 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 101.554 -3.499 . . . . 0.0 101.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -171.88 149.17 2.42 Favored 'General case' 0 CA--C 1.479 -1.769 0 O-C-N 117.913 -2.992 . . . . 0.0 110.077 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -119.41 131.94 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.447 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 163.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -132.74 122.54 24.71 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 104.838 -2.282 . . . . 0.0 104.838 167.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -142.48 132.38 23.09 Favored 'Isoleucine or valine' 0 C--O 1.287 3.046 0 N-CA-C 101.905 -3.368 . . . . 0.0 101.905 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -132.1 114.26 14.32 Favored 'General case' 0 C--N 1.385 2.139 0 O-C-N 119.093 -2.255 . . . . 0.0 108.232 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.589 0 O-C-N 118.336 -2.728 . . . . 0.0 111.069 -166.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -127.11 117.53 22.58 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 102.671 -3.085 . . . . 0.0 102.671 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.1 150.15 21.49 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 114.348 -2.739 . . . . 0.0 108.612 171.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -103.22 54.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.381 2.281 0 CA-C-N 125.702 3.072 . . . . 0.0 107.679 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 30.8 p -126.32 153.34 44.98 Favored 'General case' 0 CA--C 1.481 -1.692 0 CA-C-O 123.7 1.714 . . . . 0.0 109.509 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -131.7 107.01 8.51 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 129.444 3.098 . . . . 0.0 106.43 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -114.35 148.3 17.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 O-C-N 117.973 -2.954 . . . . 0.0 108.975 -170.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -150.13 130.79 14.02 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 122.032 2.197 . . . . 0.0 111.911 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 20.0 t -109.32 126.98 66.39 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.038 0 C-N-CA 129.394 3.078 . . . . 0.0 103.719 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -140.36 120.18 13.48 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 124.618 2.151 . . . . 0.0 107.819 174.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 37.3 t -129.83 125.11 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 116.73 -3.731 . . . . 0.0 101.373 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -125.14 121.91 35.58 Favored 'General case' 0 N--CA 1.399 -2.988 0 CA-C-O 124.159 1.933 . . . . 0.0 110.817 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . . . . . . . . 0.302 72.1 t -82.53 -73.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.418 0 O-C-N 117.346 -3.346 . . . . 0.0 111.299 -175.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.434 HG11 HG21 ' E' ' 9' ' ' VAL . 34.3 t . . . . . 0 N--CA 1.515 2.804 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -125.64 111.18 14.67 Favored 'General case' 1 N--CA 1.543 4.211 0 O-C-N 116.58 -3.825 . . . . 0.0 106.876 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 HG22 ' B' ' 18' ' ' VAL . 75.0 t -109.11 118.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 C-N-CA 128.741 2.816 . . . . 0.0 112.398 170.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.8 127.97 54.41 Favored 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 121.092 -1.005 . . . . 0.0 109.188 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.86 126.12 70.85 Favored 'Isoleucine or valine' 0 C--N 1.424 3.823 0 O-C-N 119.869 -1.769 . . . . 0.0 109.438 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -118.4 116.2 26.23 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.073 -2.267 . . . . 0.0 109.695 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG11 HG21 ' E' ' 18' ' ' VAL . 1.9 p -126.32 132.18 70.67 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.452 0 O-C-N 119.511 -1.993 . . . . 0.0 112.707 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 13' ' ' LYS . 91.9 mttt -123.56 124.53 43.03 Favored 'General case' 0 C--O 1.192 -1.938 1 O-C-N 113.251 -5.906 . . . . 0.0 107.571 171.648 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 12' ' ' THR . 9.9 p -142.05 144.53 25.16 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -173.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . 0.405 ' HD2' HG22 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -107.11 41.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 124.679 3.586 . . . . 0.0 110.128 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 9' ' ' VAL . 4.1 t -142.76 156.54 45.01 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 128.071 3.796 . . . . 0.0 113.634 175.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 8' ' ' LYS . 21.4 pttm -149.79 135.37 18.4 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 117.003 -3.561 . . . . 0.0 113.777 -171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.6 129.66 70.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.769 0 O-C-N 126.834 2.584 . . . . 0.0 106.175 173.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.301 22.2 pttp -115.02 134.56 55.08 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 115.58 -2.448 . . . . 0.0 117.247 152.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.61 156.01 23.08 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.331 0 C-N-CA 125.777 1.631 . . . . 0.0 108.896 -168.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -120.05 143.46 48.09 Favored 'General case' 0 C--N 1.367 1.355 0 C-N-CA 125.534 1.534 . . . . 0.0 110.922 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -126.26 107.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.51 0 C-N-CA 126.815 2.046 . . . . 0.0 107.834 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -111.33 142.75 43.14 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 114.387 -2.925 . . . . 0.0 107.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -125.05 111.79 29.19 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 C-N-CA 128.37 2.668 . . . . 0.0 111.816 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 117.792 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.528 3.452 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -117.66 118.52 32.34 Favored 'General case' 0 C--N 1.389 2.324 0 O-C-N 117.348 -3.345 . . . . 0.0 113.15 -171.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.44 127.62 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.009 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.822 -167.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -126.19 134.5 51.24 Favored 'General case' 0 CA--C 1.501 -0.922 0 O-C-N 117.508 -3.245 . . . . 0.0 105.474 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -138.86 135.62 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 N-CA-C 104.067 -2.568 . . . . 0.0 104.067 -166.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -134.87 158.98 42.85 Favored 'General case' 0 N--CA 1.381 -3.893 0 O-C-N 117.916 -2.99 . . . . 0.0 109.819 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.414 HG23 HG22 ' C' ' 14' ' ' VAL . 2.6 p -140.49 159.13 24.95 Favored 'Isoleucine or valine' 1 N--CA 1.347 -5.613 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 166.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -150.94 137.07 18.37 Favored 'General case' 0 N--CA 1.407 -2.611 0 C-N-CA 129.346 3.058 . . . . 0.0 114.41 166.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.564 HG11 HG21 ' F' ' 20' ' ' VAL 0.293 26.6 t -136.68 123.17 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 1 N-CA-C 98.87 -4.493 . . . . 0.0 98.87 -179.915 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -52.84 -18.48 9.23 Favored 'Trans proline' 0 C--N 1.282 -2.929 1 C-N-CA 125.811 4.341 . . . . 0.0 118.432 167.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.8 m -95.24 131.05 41.71 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 118.909 -2.369 . . . . 0.0 109.976 -172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -144.97 151.92 39.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.482 -1.387 . . . . 0.0 112.762 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -145.64 114.63 1.49 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-O 114.599 -2.619 . . . . 0.0 107.837 -169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -110.47 129.76 55.71 Favored 'General case' 0 CA--C 1.471 -2.059 0 O-C-N 125.275 1.609 . . . . 0.0 112.248 170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.75 127.82 75.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.794 0 C-N-CA 128.327 2.651 . . . . 0.0 113.079 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -115.18 127.75 55.74 Favored 'General case' 0 N--CA 1.405 -2.705 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.9 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 3' ' ' VAL . 24.0 t -115.71 124.17 71.86 Favored 'Isoleucine or valine' 0 C--O 1.249 1.079 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.641 174.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -134.34 125.28 27.29 Favored 'General case' 0 N--CA 1.408 -2.53 0 O-C-N 127.109 2.755 . . . . 0.0 107.073 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 1' ' ' VAL 0.25 17.9 t -85.49 -65.83 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 CA-C-N 119.547 1.067 . . . . 0.0 113.836 172.17 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 127.928 3.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 CA--C 1.562 1.425 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -134.49 153.77 51.76 Favored 'General case' 0 C--N 1.384 2.07 0 O-C-N 116.385 -3.947 . . . . 0.0 110.875 165.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.579 HG22 HG13 ' D' ' 18' ' ' VAL . 28.0 t -133.73 128.14 53.6 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 -166.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -135.71 129.92 33.42 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.289 1.035 . . . . 0.0 113.522 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -128.52 114.92 35.6 Favored 'Isoleucine or valine' 0 C--N 1.383 2.053 0 C-N-CA 131.194 3.798 . . . . 0.0 102.072 -162.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -122.78 116.48 23.78 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-O 125.237 2.446 . . . . 0.0 110.361 169.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.425 ' HB ' HG13 ' D' ' 14' ' ' VAL . 1.5 p -128.45 134.03 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.996 0 CA-C-O 125.424 2.535 . . . . 0.0 107.059 -174.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -132.07 126.27 33.43 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 117.067 -3.52 . . . . 0.0 108.044 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.489 HG12 HG23 ' D' ' 12' ' ' THR . 31.0 m -140.9 154.96 21.62 Favored 'Isoleucine or valine' 0 C--O 1.291 3.274 0 O-C-N 118.572 -2.58 . . . . 0.0 105.164 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . 0.258 41.7 Cg_endo -108.58 62.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.371 1.762 1 C-N-CA 125.74 4.293 . . . . 0.0 107.21 169.254 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 87.9 m -144.26 122.07 11.95 Favored 'General case' 0 N--CA 1.393 -3.298 0 C-N-CA 126.592 1.957 . . . . 0.0 112.095 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -106.07 134.57 48.98 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 127.143 2.777 . . . . 0.0 110.704 167.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . 0.414 HG22 HG23 ' B' ' 7' ' ' VAL . 4.8 t -137.56 129.36 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 O-C-N 119.418 -2.051 . . . . 0.0 112.124 172.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -113.27 136.06 53.16 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 118.464 -2.648 . . . . 0.0 111.045 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 t -135.48 133.79 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.289 0 O-C-N 117.752 -3.092 . . . . 0.0 105.825 175.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -130.23 117.13 19.39 Favored 'General case' 0 CA--C 1.578 2.034 0 CA-C-N 112.205 -2.27 . . . . 0.0 110.57 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.84 135.42 62.96 Favored 'Isoleucine or valine' 0 C--O 1.272 2.263 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -125.38 137.23 54.02 Favored 'General case' 0 N--CA 1.418 -2.064 0 C-N-CA 128.841 2.856 . . . . 0.0 108.858 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -99.07 -76.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.535 0 CA-C-N 121.93 2.15 . . . . 0.0 112.121 -167.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.04 0 CA-C-N 119.36 0.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.514 2.738 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -127.51 114.29 17.25 Favored 'General case' 0 C--O 1.266 1.951 0 CA-C-O 125.297 2.475 . . . . 0.0 113.121 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.77 136.43 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.896 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -134.02 140.51 46.74 Favored 'General case' 0 CA--C 1.494 -1.198 0 CA-C-N 110.507 -3.042 . . . . 0.0 106.54 -166.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.75 116.9 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.26 0 CA-C-O 126.242 2.925 . . . . 0.0 111.105 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -114.72 120.85 41.49 Favored 'General case' 0 CA--C 1.59 2.49 0 O-C-N 117.349 -3.344 . . . . 0.0 107.506 165.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.19 132.64 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.588 0 C-N-CA 127.901 2.48 . . . . 0.0 106.254 162.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -155.66 113.86 3.41 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 112.172 -2.285 . . . . 0.0 107.552 -162.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.33 105.98 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.384 -3.756 0 O-C-N 119.11 -2.244 . . . . 0.0 108.83 -165.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -63.88 -10.51 23.0 Favored 'Trans proline' 0 N--CA 1.405 -3.714 1 C-N-CA 127.645 5.563 . . . . 0.0 117.419 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . 0.489 HG23 HG12 ' C' ' 9' ' ' VAL . 96.0 m -101.85 108.99 20.64 Favored 'General case' 0 CA--C 1.585 2.289 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 -175.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -125.93 119.87 28.9 Favored 'General case' 0 C--O 1.28 2.71 0 C-N-CA 125.294 1.438 . . . . 0.0 110.738 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . 0.425 HG13 ' HB ' ' C' ' 7' ' ' VAL . 1.7 t -125.96 129.08 72.38 Favored 'Isoleucine or valine' 0 C--O 1.266 1.938 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 172.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -120.85 131.55 54.48 Favored 'General case' 0 N--CA 1.386 -3.659 0 CA-C-O 122.76 1.266 . . . . 0.0 109.251 168.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.19 131.56 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -144.13 146.53 32.82 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.345 1.058 . . . . 0.0 112.891 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.579 HG13 HG22 ' C' ' 3' ' ' VAL 0.251 3.1 t -128.75 121.8 55.58 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.888 0 C-N-CA 128.479 2.712 . . . . 0.0 117.928 -176.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -109.74 122.23 47.02 Favored 'General case' 0 CA--C 1.446 -3.052 0 O-C-N 120.655 -1.278 . . . . 0.0 111.076 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . 0.256 78.6 t -127.8 139.95 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.368 1 CA-C-O 130.481 4.943 . . . . 0.0 102.607 174.27 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 117.363 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 CA--C 1.496 -1.105 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -125.24 143.88 50.73 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.125 1.329 . . . . 0.0 110.916 -176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 t -133.8 122.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.372 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -130.65 147.21 52.3 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.318 -174.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.77 123.06 17.89 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -112.8 133.25 54.89 Favored 'General case' 0 CA--C 1.591 2.538 0 CA-C-O 126.239 2.923 . . . . 0.0 106.101 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -128.26 134.66 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.47 -2.112 0 O-C-N 118.987 -2.32 . . . . 0.0 107.725 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -137.3 128.46 27.79 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.144 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 1' ' ' VAL . 51.3 t -140.39 129.33 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.779 1 N-CA-C 97.672 -4.936 . . . . 0.0 97.672 178.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -92.14 20.71 0.8 Allowed 'Trans proline' 1 N--CA 1.554 5.067 1 C-N-CA 126.297 4.664 . . . . 0.0 114.386 177.186 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 57.9 m -106.03 125.03 50.51 Favored 'General case' 0 C--O 1.192 -1.97 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 168.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -134.59 117.62 16.34 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.59 137.94 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 102.362 -3.199 . . . . 0.0 102.362 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -122.54 130.57 53.18 Favored 'General case' 0 N--CA 1.52 3.032 0 C-N-CA 130.334 3.454 . . . . 0.0 108.355 172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 12.8 t -132.63 135.6 57.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 C-N-CA 126.138 1.775 . . . . 0.0 110.344 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -126.1 154.72 42.7 Favored 'General case' 0 CA--C 1.434 -3.5 0 N-CA-C 117.364 2.357 . . . . 0.0 117.364 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.419 HG21 HG11 ' A' ' 7' ' ' VAL . 57.5 t -144.6 148.65 17.96 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 O-C-N 126.494 2.371 . . . . 0.0 106.715 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -149.81 170.08 19.6 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . 0.251 96.8 t -53.36 122.89 3.7 Favored 'Isoleucine or valine' 0 C--N 1.41 3.222 0 O-C-N 118.085 -2.885 . . . . 0.0 116.042 169.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 1 N--CA 1.582 6.147 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -124.29 132.9 53.59 Favored 'General case' 0 C--O 1.209 -1.044 0 CA-C-O 122.304 1.05 . . . . 0.0 109.603 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.16 130.22 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.335 0 CA-C-N 112.183 -2.28 . . . . 0.0 105.488 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -126.38 128.68 47.43 Favored 'General case' 0 CA--C 1.469 -2.151 0 CA-C-O 126.921 3.248 . . . . 0.0 112.413 169.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . 0.589 HG22 HG13 ' G' ' 16' ' ' VAL . 59.6 t -123.33 122.08 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 CA-C-O 126.023 2.82 . . . . 0.0 105.546 -168.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . 0.286 94.3 mttt -126.92 143.3 51.32 Favored 'General case' 0 N--CA 1.508 2.438 1 O-C-N 115.105 -4.747 . . . . 0.0 112.049 -179.64 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -155.6 137.31 5.77 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.046 0 CA-C-O 126.528 3.061 . . . . 0.0 111.28 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -121.96 121.54 37.29 Favored 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 119.231 -2.168 . . . . 0.0 108.494 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t -135.87 115.5 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.7 0 O-C-N 126.331 2.269 . . . . 0.0 105.68 -163.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -79.77 5.07 6.17 Favored 'Trans proline' 0 CA--C 1.583 2.932 0 C-N-CA 121.791 1.661 . . . . 0.0 112.849 175.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 11.7 m -105.89 106.4 16.89 Favored 'General case' 0 CA--C 1.475 -1.921 0 C-N-CA 119.217 -0.993 . . . . 0.0 111.119 -164.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.45 114.58 26.08 Favored 'General case' 0 N--CA 1.388 -3.559 0 C-N-CA 129.69 3.196 . . . . 0.0 110.556 176.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.54 136.51 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-O 125.273 2.463 . . . . 0.0 112.289 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . 0.262 96.7 mttt -123.21 122.9 39.54 Favored 'General case' 0 CA--C 1.595 2.679 1 O-C-N 115.407 -4.558 . . . . 0.0 112.075 171.178 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.95 121.45 64.19 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 C-N-CA 126.505 1.922 . . . . 0.0 107.938 -171.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -129.91 121.93 27.6 Favored 'General case' 0 CA--C 1.486 -1.519 1 O-C-N 115.228 -4.67 . . . . 0.0 107.816 -172.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -109.14 124.94 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 116.455 -3.903 . . . . 0.0 104.524 166.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -123.28 115.42 21.67 Favored 'General case' 0 CA--C 1.457 -2.62 0 C-N-CA 126.349 1.859 . . . . 0.0 108.502 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . 0.564 HG21 HG11 ' B' ' 9' ' ' VAL . 14.1 t -124.02 105.81 16.02 Favored 'Isoleucine or valine' 0 C--N 1.402 2.854 0 C-N-CA 130.425 3.49 . . . . 0.0 109.744 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.266 0 O-C-N 120.808 -1.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . 0.715 HG22 HG13 ' H' ' 20' ' ' VAL 0.308 45.5 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 117.075 -1.44 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -120.55 145.02 47.75 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 126.813 2.571 . . . . 0.0 117.214 171.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.409 HG22 HG22 ' H' ' 18' ' ' VAL . 41.7 t -124.92 134.74 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 114.362 -2.935 . . . . 0.0 105.854 172.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -122.06 122.97 40.51 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 111.49 -2.595 . . . . 0.0 115.795 165.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -118.82 132.21 69.35 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 O-C-N 116.625 -3.797 . . . . 0.0 104.419 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -149.39 156.71 42.49 Favored 'General case' 0 N--CA 1.391 -3.382 0 CA-C-N 121.302 1.865 . . . . 0.0 107.732 170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.03 150.78 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -113.62 122.11 46.2 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' G' ' 10' ' ' DPR . 74.7 t -125.76 127.88 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . 0.413 ' C ' ' O ' ' G' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -105.16 35.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.583 2.953 0 N-CA-C 106.972 -1.972 . . . . 0.0 106.972 177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 52.3 m -129.44 110.86 12.23 Favored 'General case' 0 C--O 1.191 -1.987 0 C-N-CA 128.745 2.818 . . . . 0.0 112.343 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.27 140.05 30.27 Favored 'General case' 0 N--CA 1.389 -3.509 0 O-C-N 120.609 -1.307 . . . . 0.0 107.719 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -123.48 128.7 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 118.242 -2.786 . . . . 0.0 110.759 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -123.29 128.42 49.92 Favored 'General case' 0 C--N 1.395 2.568 0 O-C-N 126.047 2.092 . . . . 0.0 111.553 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . 0.589 HG13 HG22 ' F' ' 5' ' ' VAL . 38.9 t -125.35 113.66 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.172 0 O-C-N 119.609 -1.932 . . . . 0.0 106.071 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -115.37 124.86 52.31 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 121.211 -0.931 . . . . 0.0 112.805 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.65 141.55 40.54 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.627 0 O-C-N 124.04 0.837 . . . . 0.0 109.641 -176.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.88 128.07 54.89 Favored 'General case' 0 C--N 1.401 2.842 0 N-CA-C 102.452 -3.166 . . . . 0.0 102.452 168.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -100.51 6.96 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.566 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -161.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.887 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.432 -1.344 0 CA-C-O 116.074 -1.917 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -146.81 142.35 27.62 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 122.361 1.077 . . . . 0.0 110.64 164.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 t -124.21 136.55 60.08 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 CA-C-O 124.994 2.331 . . . . 0.0 107.171 155.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.62 122.83 16.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.726 2.01 . . . . 0.0 109.158 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 36.5 t -133.17 129.3 56.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 1 O-C-N 115.707 -4.371 . . . . 0.0 101.278 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -139.38 109.87 6.61 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 117.294 -3.379 . . . . 0.0 106.556 165.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.8 143.88 17.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 O-C-N 118.274 -2.766 . . . . 0.0 110.454 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -110.74 117.18 32.75 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 110.813 164.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.27 135.96 60.67 Favored 'Isoleucine or valine' 0 C--O 1.277 2.501 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.974 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . 0.401 ' HG2' HG23 ' H' ' 12' ' ' THR . 8.2 Cg_endo -95.61 7.75 1.87 Allowed 'Trans proline' 0 CA--C 1.494 -1.524 0 O-C-N 126.009 2.584 . . . . 0.0 115.69 178.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . 0.401 HG23 ' HG2' ' H' ' 11' ' ' PRO . 70.8 p -119.68 153.24 35.88 Favored 'General case' 0 CA--C 1.467 -2.22 0 C-N-CA 124.629 1.172 . . . . 0.0 110.967 -166.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -123.51 131.49 53.65 Favored 'General case' 0 N--CA 1.41 -2.442 0 CA-C-O 125.311 2.481 . . . . 0.0 109.8 171.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -127.02 143.97 38.74 Favored 'Isoleucine or valine' 0 C--N 1.381 1.944 0 O-C-N 117.972 -2.955 . . . . 0.0 109.13 -169.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -150.93 129.01 11.81 Favored 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 170.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.34 136.98 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.466 0 O-C-N 119.385 -2.072 . . . . 0.0 110.721 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -132.84 119.66 20.53 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 125.152 2.406 . . . . 0.0 108.308 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.409 HG22 HG22 ' G' ' 3' ' ' VAL . 89.6 t -117.22 113.3 42.29 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.118 0 O-C-N 119.654 -1.904 . . . . 0.0 112.675 167.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -104.24 113.94 27.83 Favored 'General case' 0 N--CA 1.52 3.028 0 CA-C-N 113.651 -1.613 . . . . 0.0 113.731 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.715 HG13 HG22 ' G' ' 1' ' ' VAL 0.319 7.5 t -101.07 -55.84 5.65 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.274 0 C-N-CA 130.393 3.477 . . . . 0.0 106.925 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.775 0 CA-C-N 113.254 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 1 N--CA 1.569 5.489 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.31 35.7 mttt -115.47 124.6 51.52 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 119.981 1.264 . . . . 0.0 110.127 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.0 140.4 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.434 -3.511 1 O-C-N 114.899 -4.876 . . . . 0.0 108.855 171.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -117.34 143.16 46.25 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 103.441 -2.799 . . . . 0.0 103.441 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG13 HG22 ' B' ' 16' ' ' VAL . 29.8 t -135.79 125.19 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 C-N-CA 130.153 3.381 . . . . 0.0 105.594 173.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -132.68 133.22 43.28 Favored 'General case' 0 C--N 1.398 2.709 0 C-N-CA 126.735 2.014 . . . . 0.0 110.11 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.81 134.4 32.6 Favored 'Isoleucine or valine' 0 C--O 1.272 2.286 0 O-C-N 128.94 3.9 . . . . 0.0 112.764 -167.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -118.96 109.16 15.63 Favored 'General case' 0 N--CA 1.494 1.734 1 O-C-N 114.835 -4.915 . . . . 0.0 108.072 174.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.69 131.08 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.263 -0.898 . . . . 0.0 112.897 -166.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -110.4 35.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.275 -3.292 0 C-N-CA 124.682 3.588 . . . . 0.0 106.586 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -128.45 163.52 24.72 Favored 'General case' 0 C--N 1.384 2.104 0 CA-C-N 120.819 1.645 . . . . 0.0 107.675 170.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.375 25.0 pttm -135.47 138.56 43.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.05 161.13 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.599 2.858 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -156.72 153.72 28.88 Favored 'General case' 0 N--CA 1.406 -2.633 0 O-C-N 118.165 -2.834 . . . . 0.0 110.87 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.19 151.25 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -108.78 145.43 35.19 Favored 'General case' 0 CA--C 1.486 -1.517 0 O-C-N 117.591 -3.193 . . . . 0.0 108.226 165.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 t -116.36 120.08 63.87 Favored 'Isoleucine or valine' 0 C--N 1.374 1.663 0 C-N-CA 125.701 1.6 . . . . 0.0 109.987 162.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.296 57.5 tttm -119.23 104.23 10.22 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 123.936 1.827 . . . . 0.0 112.978 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.55 105.5 18.47 Favored 'Isoleucine or valine' 0 C--O 1.255 1.35 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.575 0 O-C-N 117.096 -3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 CA--C 1.439 -3.29 0 CA-C-O 124.439 2.066 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -113.75 132.39 55.85 Favored 'General case' 0 N--CA 1.508 2.443 0 CA-C-N 114.458 -1.246 . . . . 0.0 109.712 -166.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -124.4 126.65 72.28 Favored 'Isoleucine or valine' 0 C--N 1.408 3.133 0 O-C-N 117.059 -3.526 . . . . 0.0 111.883 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -105.38 123.62 48.17 Favored 'General case' 0 N--CA 1.395 -3.202 0 C-N-CA 125.526 1.53 . . . . 0.0 110.066 171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.5 t -124.32 132.16 71.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 CA-C-N 124.509 3.322 . . . . 0.0 108.516 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -126.55 138.96 53.54 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 124.578 2.132 . . . . 0.0 109.039 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -144.5 127.06 10.75 Favored 'Isoleucine or valine' 1 N--CA 1.373 -4.279 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -121.27 118.38 29.39 Favored 'General case' 0 C--O 1.247 0.937 0 C-N-CA 125.113 1.365 . . . . 0.0 113.569 -176.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t -119.78 107.64 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.768 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -76.46 -20.34 14.16 Favored 'Trans proline' 0 N--CA 1.441 -1.588 0 O-C-N 115.478 -2.959 . . . . 0.0 113.668 -169.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -65.5 129.53 40.08 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 119.698 -1.877 . . . . 0.0 114.578 166.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -141.86 136.79 30.9 Favored 'General case' 0 N--CA 1.416 -2.146 0 O-C-N 118.321 -2.737 . . . . 0.0 113.609 162.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.49 141.24 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.126 0 CA-C-O 126.316 2.96 . . . . 0.0 109.175 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -128.62 135.36 49.21 Favored 'General case' 0 N--CA 1.482 1.16 1 CA-C-O 128.659 4.076 . . . . 0.0 108.64 166.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 5' ' ' VAL . 64.2 t -124.14 133.0 70.48 Favored 'Isoleucine or valine' 0 C--N 1.367 1.363 0 O-C-N 118.878 -2.389 . . . . 0.0 106.495 -170.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -125.37 117.46 23.78 Favored 'General case' 0 C--O 1.252 1.194 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 -174.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 t -111.12 124.07 67.58 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -133.56 135.75 44.52 Favored 'General case' 0 C--O 1.199 -1.562 0 C-N-CA 116.471 -2.092 . . . . 0.0 112.174 175.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.77 -65.25 1.12 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.374 1 O-C-N 116.272 -4.017 . . . . 0.0 104.368 -170.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.137 0 CA-C-N 115.147 -0.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.587 2.388 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -130.12 146.25 51.75 Favored 'General case' 0 CA--C 1.461 -2.446 0 O-C-N 120.552 -1.342 . . . . 0.0 109.244 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.544 HG13 HG22 ' D' ' 18' ' ' VAL . 12.1 t -133.04 121.89 44.76 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 17' ' ' LYS . 90.4 mttt -116.47 131.01 57.06 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 121.067 0.46 . . . . 0.0 110.055 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.449 HG22 HG13 ' D' ' 16' ' ' VAL . 67.1 t -118.65 121.54 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 118.704 -2.497 . . . . 0.0 111.012 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.63 130.53 40.31 Favored 'General case' 0 N--CA 1.422 -1.839 1 CA-C-O 129.549 4.499 . . . . 0.0 104.023 176.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.5 139.65 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.39 -3.456 0 CA-C-N 111.388 -2.642 . . . . 0.0 106.242 -171.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -130.31 134.87 47.52 Favored 'General case' 0 C--O 1.187 -2.236 0 CA-C-N 113.001 -1.908 . . . . 0.0 106.281 174.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -157.67 146.41 9.94 Favored 'Isoleucine or valine' 0 C--O 1.166 -3.313 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -107.24 84.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 N-CA-C 107.407 -1.805 . . . . 0.0 107.407 165.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -170.77 123.14 0.62 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -114.7 112.87 23.52 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.572 1.949 . . . . 0.0 111.33 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 1.7 t -116.04 133.86 61.2 Favored 'Isoleucine or valine' 0 C--N 1.381 1.939 0 O-C-N 118.959 -2.338 . . . . 0.0 111.502 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -139.56 134.02 31.59 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 116.478 -3.889 . . . . 0.0 105.012 -170.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.13 140.18 47.61 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 CA-C-O 126.572 3.082 . . . . 0.0 114.344 165.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LYS . . . . . 0.403 ' HG2' ' HG2' ' C' ' 4' ' ' LYS . 31.0 mtmt -127.48 139.24 52.93 Favored 'General case' 0 C--N 1.387 2.211 0 O-C-N 118.49 -2.631 . . . . 0.0 111.866 155.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.49 128.61 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.941 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -125.42 129.12 49.21 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.016 1.448 . . . . 0.0 108.07 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -94.14 -63.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-O 123.359 1.552 . . . . 0.0 112.55 -157.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.384 2.072 1 O-C-N 116.265 -4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 25.2 t . . . . . 0 CA--C 1.452 -2.789 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -116.13 116.57 28.08 Favored 'General case' 0 N--CA 1.517 2.883 0 CA-C-O 127.292 3.425 . . . . 0.0 106.758 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . 0.439 20.0 m -103.34 118.94 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 116.873 -3.642 . . . . 0.0 107.58 164.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -126.13 131.29 52.1 Favored 'General case' 0 C--O 1.281 2.761 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 -171.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -124.25 117.9 52.11 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.902 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -136.32 160.14 39.62 Favored 'General case' 0 C--N 1.368 1.375 0 O-C-N 119.936 -1.728 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.202 0 CA-C-O 116.404 -1.76 . . . . 0.0 106.365 -169.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -130.91 114.45 15.27 Favored 'General case' 0 CA--C 1.471 -2.082 1 N-CA-C 99.614 -4.217 . . . . 0.0 99.614 -166.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.36 99.38 3.9 Favored 'Isoleucine or valine' 0 C--N 1.397 2.673 1 O-C-N 114.222 -5.299 . . . . 0.0 101.965 -172.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' DPR . . . . . 0.441 ' HA ' ' HD3' ' D' ' 11' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 10' ' ' DPR . 32.5 Cg_exo -69.75 -22.57 31.93 Favored 'Trans proline' 0 C--N 1.394 2.951 1 C-N-CA 127.924 5.75 . . . . 0.0 112.924 -173.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -92.77 111.67 23.36 Favored 'General case' 0 C--N 1.417 3.538 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -135.97 107.46 6.91 Favored 'General case' 0 N--CA 1.411 -2.394 0 O-C-N 117.499 -3.251 . . . . 0.0 110.822 -172.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.95 133.21 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.494 0 O-C-N 119.773 -1.83 . . . . 0.0 106.179 -175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -135.4 128.52 31.73 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.582 -1.324 . . . . 0.0 112.215 148.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' VAL . . . . . 0.449 HG13 HG22 ' C' ' 5' ' ' VAL . 58.2 t -125.94 120.53 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 106.023 -1.844 . . . . 0.0 106.023 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -128.4 133.86 48.69 Favored 'General case' 0 N--CA 1.394 -3.26 0 CA-C-O 123.365 1.555 . . . . 0.0 111.937 -175.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.544 HG22 HG13 ' C' ' 3' ' ' VAL . 47.8 t -117.02 135.7 56.56 Favored 'Isoleucine or valine' 0 C--N 1.416 3.482 0 O-C-N 120.455 -1.403 . . . . 0.0 108.848 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -104.93 131.76 52.03 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 122.486 1.136 . . . . 0.0 108.876 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 t -131.46 140.23 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.411 0 CA-C-O 123.306 1.527 . . . . 0.0 110.908 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.406 3.065 0 O-C-N 120.426 -1.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 31.0 t . . . . . 0 CA--C 1.469 -2.157 1 N-CA-C 125.013 5.19 . . . . 0.0 125.013 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -129.88 132.36 46.38 Favored 'General case' 1 C--O 1.313 4.439 0 O-C-N 121.124 -0.985 . . . . 0.0 108.583 -162.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.23 134.82 65.09 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.427 0 O-C-N 118.187 -2.821 . . . . 0.0 116.337 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -148.91 138.0 21.51 Favored 'General case' 0 CA--C 1.46 -2.505 0 C-N-CA 116.933 -1.907 . . . . 0.0 109.174 -162.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.87 125.36 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.391 -3.381 0 C-N-CA 126.162 1.785 . . . . 0.0 114.494 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -115.44 131.26 56.99 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-N 119.434 1.015 . . . . 0.0 110.577 170.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 p -132.1 127.64 58.1 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 127.019 3.295 . . . . 0.0 106.706 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -125.48 121.89 35.04 Favored 'General case' 0 C--N 1.377 1.774 0 O-C-N 118.029 -2.919 . . . . 0.0 106.376 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.95 110.44 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.581 0 CA-C-O 113.999 -2.905 . . . . 0.0 108.518 167.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -90.63 -6.61 4.24 Favored 'Trans proline' 0 C--N 1.401 3.325 0 O-C-N 124.142 1.601 . . . . 0.0 110.524 -169.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -99.71 111.3 23.65 Favored 'General case' 0 N--CA 1.428 -1.571 0 C-N-CA 126.083 1.753 . . . . 0.0 107.317 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -130.03 121.38 26.35 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -166.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 22.5 t -132.03 133.75 60.45 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 CA-C-O 117.244 -1.36 . . . . 0.0 111.296 -164.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -137.96 139.37 39.69 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 120.73 1.604 . . . . 0.0 111.754 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -129.15 129.24 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 C-N-CA 126.254 1.822 . . . . 0.0 108.588 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -127.6 120.46 28.19 Favored 'General case' 0 C--N 1.378 1.844 0 CA-C-O 123.421 1.581 . . . . 0.0 113.498 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.88 135.76 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.471 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 -170.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -140.64 155.74 46.44 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 122.239 2.291 . . . . 0.0 114.732 169.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.47 121.74 37.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.869 0 O-C-N 125.903 2.002 . . . . 0.0 109.113 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.391 2.38 0 CA-C-N 114.443 -1.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 1 N--CA 1.55 4.574 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -127.14 121.31 31.04 Favored 'General case' 0 N--CA 1.417 -2.1 0 C-N-CA 127.098 2.159 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.81 120.31 58.38 Favored 'Isoleucine or valine' 0 C--N 1.384 2.072 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 -166.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -124.97 119.39 28.61 Favored 'General case' 0 CA--C 1.484 -1.566 0 N-CA-C 104.057 -2.571 . . . . 0.0 104.057 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 64.3 t -121.23 135.07 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.446 -3.036 0 C-N-CA 128.266 2.626 . . . . 0.0 104.242 -175.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -143.11 138.51 29.89 Favored 'General case' 0 C--N 1.279 -2.471 0 O-C-N 117.96 -2.962 . . . . 0.0 106.954 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -140.23 158.75 25.68 Favored 'Isoleucine or valine' 0 C--O 1.275 2.437 0 O-C-N 118.699 -2.501 . . . . 0.0 107.926 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -128.97 108.26 10.27 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-N 111.432 -2.622 . . . . 0.0 107.79 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.34 122.55 67.64 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.161 0 CA-C-O 113.588 -3.101 . . . . 0.0 112.623 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -105.07 20.71 0.12 Allowed 'Trans proline' 0 C--O 1.255 1.355 0 CA-C-N 128.004 3.894 . . . . 0.0 111.028 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 12' ' ' THR . . . . . . . . . . . . . 57.7 m -111.3 123.21 49.75 Favored 'General case' 0 CA--C 1.476 -1.894 0 CA-C-O 123.851 1.786 . . . . 0.0 109.746 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.61 126.24 52.74 Favored 'General case' 0 C--O 1.168 -3.215 0 O-C-N 118.845 -2.41 . . . . 0.0 113.031 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -125.24 134.17 67.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 115.708 -2.397 . . . . 0.0 110.477 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -122.96 123.92 42.0 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 125.627 1.571 . . . . 0.0 111.091 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.07 125.57 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 N-CA-C 103.394 -2.817 . . . . 0.0 103.394 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -112.5 122.0 46.43 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 131.394 3.878 . . . . 0.0 113.357 165.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -117.5 117.3 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.619 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -118.42 115.23 24.22 Favored 'General case' 0 C--N 1.38 1.893 0 O-C-N 118.523 -2.611 . . . . 0.0 109.092 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.43 103.96 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.166 1 N-CA-C 99.203 -4.369 . . . . 0.0 99.203 -170.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.906 0 O-C-N 118.495 -2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' VAL . . . . . 0.474 HG22 HG22 ' H' ' 20' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -136.87 142.6 42.79 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 125.956 2.789 . . . . 0.0 106.424 165.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.09 131.33 73.27 Favored 'Isoleucine or valine' 0 C--N 1.387 2.231 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -122.26 124.0 42.75 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 130.109 3.364 . . . . 0.0 114.536 166.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 25.7 t -130.18 125.32 59.72 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 O-C-N 117.417 -3.302 . . . . 0.0 109.912 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -134.06 144.02 48.4 Favored 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 123.43 2.832 . . . . 0.0 109.812 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' VAL . . . . . 0.41 ' HB ' HG13 ' H' ' 14' ' ' VAL . 3.2 p -143.02 140.39 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.242 0 CA-C-O 122.788 1.28 . . . . 0.0 111.474 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -98.32 113.12 24.97 Favored 'General case' 0 CA--C 1.584 2.257 0 CA-C-N 112.399 -2.182 . . . . 0.0 105.727 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.84 99.44 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.013 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 177.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -90.23 14.65 2.03 Favored 'Trans proline' 0 C--N 1.297 -2.163 1 C-N-CA 126.525 4.817 . . . . 0.0 109.707 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 12' ' ' THR . . . . . . . . . . . . . 63.4 m -110.29 126.35 54.11 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 118.628 -2.545 . . . . 0.0 105.682 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . 0.255 91.4 mttt -110.72 137.08 48.85 Favored 'General case' 0 CA--C 1.482 -1.657 0 O-C-N 119.412 -2.055 . . . . 0.0 109.926 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -125.27 135.2 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.68 0 C-N-CA 125.44 1.496 . . . . 0.0 109.99 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -135.11 126.43 28.35 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 124.785 3.448 . . . . 0.0 108.646 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.12 120.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 C-N-CA 128.279 2.632 . . . . 0.0 106.036 -175.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 17' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -127.55 128.63 45.95 Favored 'General case' 0 C--N 1.417 3.503 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.171 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 t -130.64 127.26 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.887 0 O-C-N 117.178 -3.451 . . . . 0.0 109.476 -170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 19' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -116.28 122.33 44.62 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 124.594 2.14 . . . . 0.0 109.863 164.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.16 67.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 126.266 1.826 . . . . 0.0 108.696 -171.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.421 -1.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.505 2.304 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 2' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -158.41 157.04 31.52 Favored 'General case' 0 C--N 1.382 2.006 0 CA-C-N 120.628 1.558 . . . . 0.0 107.962 160.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 3' ' ' VAL . . . . . . . . . . . . . 20.0 t -139.5 109.53 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.396 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 164.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -112.11 112.44 24.07 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.703 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -134.71 120.51 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.956 0 O-C-N 116.474 -3.891 . . . . 0.0 108.848 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -114.24 119.33 36.66 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 125.868 2.747 . . . . 0.0 107.029 169.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 p -134.85 157.35 40.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -130.27 132.3 45.86 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 130.84 3.656 . . . . 0.0 109.999 165.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -143.03 138.7 27.24 Favored 'Isoleucine or valine' 0 C--N 1.401 2.828 0 CA-C-O 116.385 -1.769 . . . . 0.0 112.353 168.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 10' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -100.46 35.62 0.08 OUTLIER 'Trans proline' 0 C--O 1.287 2.969 0 CA-C-N 121.092 1.426 . . . . 0.0 109.961 -173.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -133.55 140.03 46.95 Favored 'General case' 1 CA--C 1.407 -4.546 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -130.75 118.62 21.12 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.941 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 14' ' ' VAL . . . . . 0.41 HG13 ' HB ' ' G' ' 7' ' ' VAL . 2.2 t -131.64 117.49 35.16 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 O-C-N 125.891 1.995 . . . . 0.0 110.221 -159.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -115.15 140.36 49.14 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 120.047 -1.658 . . . . 0.0 112.878 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 t -128.91 128.31 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 C-N-CA 128.856 2.863 . . . . 0.0 107.618 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -135.42 119.17 17.19 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.16 121.7 66.46 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 O-C-N 117.819 -3.051 . . . . 0.0 107.981 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -129.79 127.64 40.76 Favored 'General case' 0 N--CA 1.386 -3.631 0 C-N-CA 126.604 1.962 . . . . 0.0 109.787 -171.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 20' ' ' VAL . . . . . 0.474 HG22 HG22 ' G' ' 1' ' ' VAL . 8.3 t -112.34 -81.95 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.138 0 CA-C-O 125.126 2.393 . . . . 0.0 105.43 163.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.377 1.785 0 O-C-N 117.093 -3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_