data_2k10_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 2k10 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.677 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 84.0 mt -80.21 -56.8 5.93 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -47.22 -36.38 8.78 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.889 -1.053 . . . . 0.0 112.3 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -64.83 -48.99 72.37 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.872 1.215 . . . . 0.0 108.524 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -58.93 -43.8 91.21 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.889 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.39 -62.88 1.21 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.658 -177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.0 51.58 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.188 1.358 . . . . 0.0 109.764 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.75 70.47 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.917 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.02 -58.81 3.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-N 117.973 0.886 . . . . 0.0 110.411 -174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -54.13 -31.68 53.01 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.427 -1.273 . . . . 0.0 113.825 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -47.72 -40.79 21.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.553 1.524 . . . . 0.0 113.643 -173.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.26 32.46 7.45 Favored Glycine 0 C--N 1.356 1.676 0 CA-C-N 119.773 1.17 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.38 -35.83 53.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 118.55 1.175 . . . . 0.0 110.791 -177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.74 -51.33 7.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.872 1.215 . . . . 0.0 111.707 -175.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -87.37 -46.56 9.54 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.373 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.76 -27.67 68.46 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.181 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -52.4 50.16 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.303 1.41 . . . . 0.0 107.698 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.95 89.87 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.59 34.37 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-O 117.73 -1.594 . . . . 0.0 112.345 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -74.98 -60.78 2.13 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.317 2.058 . . . . 0.0 109.596 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -42.24 98.83 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.476 -171.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.1 mt -102.07 43.02 1.09 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.97 -45.67 93.81 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.55 -30.47 1.48 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 116.881 -1.533 . . . . 0.0 114.286 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.81 -45.12 1.3 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.284 -1.341 . . . . 0.0 113.332 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.88 -59.91 4.62 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 122.427 2.376 . . . . 0.0 108.843 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.56 -37.87 58.73 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 119.555 1.07 . . . . 0.0 111.307 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.85 -45.0 91.46 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.485 1.039 . . . . 0.0 108.605 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.02 -69.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.639 -0.696 . . . . 0.0 109.401 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -65.59 -30.86 71.64 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.529 1.058 . . . . 0.0 112.797 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 75.14 1.07 Allowed Glycine 0 C--N 1.353 1.474 0 N-CA-C 105.618 -2.993 . . . . 0.0 105.618 -171.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.354 0.795 0 CA-C-N 117.919 0.859 . . . . 0.0 108.825 -173.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.6 mt -80.47 -56.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.71 -34.0 57.39 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.302 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -64.11 -50.81 66.81 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.39 0.996 . . . . 0.0 108.856 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -56.28 -43.26 78.65 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.88 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ALA . 11.0 m-85 -67.64 -63.91 0.97 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 118.088 -0.958 . . . . 0.0 108.795 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.54 -31.21 55.95 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.492 1.496 . . . . 0.0 110.109 -175.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.08 -51.05 58.23 Favored Glycine 0 C--N 1.352 1.471 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.905 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.99 -57.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.125 0.963 . . . . 0.0 110.515 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -51.84 -31.06 26.14 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.417 -1.277 . . . . 0.0 113.677 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -47.48 -39.33 15.67 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.397 1.453 . . . . 0.0 113.152 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.07 33.33 6.64 Favored Glycine 0 C--N 1.356 1.674 0 CA-C-N 119.71 1.141 . . . . 0.0 111.46 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.01 -42.6 85.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 118.945 1.372 . . . . 0.0 110.855 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.11 -55.64 8.0 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.025 1.284 . . . . 0.0 112.069 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -78.68 -49.87 12.4 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.301 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.47 -21.45 66.19 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.658 -169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.74 -53.03 60.33 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.855 1.661 . . . . 0.0 107.569 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.79 79.79 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.22 -34.67 13.06 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-O 117.439 -1.756 . . . . 0.0 112.666 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -83.05 -60.09 2.27 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.368 2.084 . . . . 0.0 109.908 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.058 0.844 . . . . 0.0 109.416 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -97.74 48.79 1.02 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.73 -46.78 83.86 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 t -43.05 -33.31 0.81 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.277 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -128.95 -46.2 1.26 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.551 -1.214 . . . . 0.0 112.967 -176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.7 -53.01 61.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 121.975 2.17 . . . . 0.0 108.322 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.44 -40.59 87.25 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.513 -0.875 . . . . 0.0 110.369 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -63.54 -46.03 87.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.08 0.855 . . . . 0.0 109.098 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.61 -63.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.688 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 t -67.89 -23.64 65.14 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.072 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.45 55.55 3.92 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 -174.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.826 0 CA-C-N 118.139 0.97 . . . . 0.0 110.53 -178.042 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.736 -1.036 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -82.66 -54.91 8.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.8 mt -53.71 -43.12 68.75 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.124 -0.941 . . . . 0.0 109.377 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.4 p -54.59 -47.74 72.97 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.331 0.968 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -64.09 -43.32 95.74 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.441 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.9 m-85 -67.23 -58.75 4.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.106 0.866 . . . . 0.0 108.82 -176.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -55.03 -35.96 64.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 120.229 1.377 . . . . 0.0 108.95 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.22 87.22 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.934 -1.127 . . . . 0.0 111.228 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.6 t -101.31 -58.95 3.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 117.539 0.669 . . . . 0.0 110.865 -173.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -67.39 -10.61 52.91 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 116.25 -1.833 . . . . 0.0 114.969 -172.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -50.16 -38.46 39.69 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 122.253 2.297 . . . . 0.0 112.149 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.87 40.74 2.42 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.17 -36.29 77.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.718 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.83 -57.43 4.32 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.727 1.149 . . . . 0.0 112.002 -173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -78.85 -48.89 13.85 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.932 0.787 . . . . 0.0 109.584 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -57.98 -34.95 70.53 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.761 -170.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -50.8 63.11 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.19 82.72 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.54 -48.64 54.92 Favored Glycine 0 C--N 1.352 1.47 0 C-N-CA 119.788 -1.196 . . . . 0.0 111.508 176.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.35 -63.12 1.39 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.077 1.438 . . . . 0.0 110.297 -177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.91 -39.7 92.89 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.232 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 mt -104.55 44.73 1.0 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.22 -45.47 94.44 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -47.86 -26.38 1.65 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-O 116.393 -1.765 . . . . 0.0 114.243 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.28 -45.67 0.92 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.647 1.567 . . . . 0.0 113.595 -177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -61.35 -59.86 4.62 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.598 2.454 . . . . 0.0 108.881 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.1 m -51.95 -34.48 42.21 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.413 -175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -70.43 -46.98 62.83 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.442 1.019 . . . . 0.0 108.466 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -64.76 -65.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -62.21 -31.56 72.1 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.469 1.031 . . . . 0.0 111.194 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.81 68.52 1.53 Allowed Glycine 0 C--N 1.353 1.514 0 N-CA-C 106.361 -2.696 . . . . 0.0 106.361 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.354 0.775 0 CA-C-O 121.972 0.891 . . . . 0.0 109.231 -175.716 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.667 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -76.36 -54.91 12.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.25 -36.2 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.652 -1.166 . . . . 0.0 109.772 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -62.42 -38.48 89.86 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.931 1.241 . . . . 0.0 109.937 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -70.8 -43.74 68.04 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.116 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -68.58 -58.62 4.0 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -32.37 26.99 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.886 1.221 . . . . 0.0 110.268 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.55 -45.43 77.43 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.514 -1.326 . . . . 0.0 111.035 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -99.37 -58.63 3.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.29 1.045 . . . . 0.0 110.647 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.21 -38.03 17.34 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.989 -176.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -36.13 -39.93 0.19 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.71 39.84 1.85 Allowed Glycine 0 C--N 1.356 1.64 0 CA-C-N 120.425 1.466 . . . . 0.0 110.102 -175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.08 -31.58 21.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.598 -1.191 . . . . 0.0 110.823 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.27 -53.94 4.88 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.268 1.395 . . . . 0.0 112.248 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -50.89 8.48 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -58.87 -28.16 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.717 -1.135 . . . . 0.0 113.195 -169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -53.05 58.12 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.09 1.314 . . . . 0.0 107.884 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.03 97.14 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.37 -35.52 28.33 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-O 118.051 -1.416 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.37 -65.91 0.95 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.715 1.758 . . . . 0.0 110.181 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.19 -44.98 94.65 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.853 -171.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 mt -100.09 46.61 0.96 Allowed 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.7 -48.05 82.54 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.5 t -45.48 -28.39 0.9 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.87 -1.538 . . . . 0.0 114.611 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.32 -46.84 0.99 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 120.075 1.307 . . . . 0.0 112.956 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -62.0 -55.13 32.46 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 122.006 2.185 . . . . 0.0 108.684 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -56.24 -37.07 69.26 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.618 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.76 -45.74 77.57 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.24 -65.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.742 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -65.19 -25.09 67.57 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.281 0.946 . . . . 0.0 111.768 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.78 55.63 3.55 Favored Glycine 0 C--N 1.353 1.525 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.355 0.814 0 CA-C-N 117.899 0.85 . . . . 0.0 110.531 -177.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.97 -48.98 18.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.05 -49.95 75.28 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.856 1.207 . . . . 0.0 108.043 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -47.35 -41.91 20.47 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.137 0.881 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -69.48 -48.34 61.02 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.812 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.2 m-85 -64.34 -64.04 0.98 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 108.77 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -39.29 57.93 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.806 1.639 . . . . 0.0 108.972 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.73 -49.81 67.78 Favored Glycine 0 C--N 1.353 1.477 0 C-N-CA 119.681 -1.247 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.33 -59.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 117.6 0.7 . . . . 0.0 110.239 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -60.38 -19.71 56.84 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.579 -1.676 . . . . 0.0 114.953 -173.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -47.11 -38.46 11.48 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.696 2.044 . . . . 0.0 113.2 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.27 39.36 2.9 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 119.62 1.1 . . . . 0.0 110.568 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.61 -36.36 74.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.473 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.34 -52.5 7.59 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.785 1.175 . . . . 0.0 111.66 -174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -83.76 -47.46 11.13 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.384 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -65.59 -28.37 69.09 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.821 -1.085 . . . . 0.0 112.121 -167.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -52.91 45.83 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.862 1.21 . . . . 0.0 107.896 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.25 92.96 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.66 -36.36 18.42 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 117.638 -1.646 . . . . 0.0 112.144 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -81.73 -60.12 2.36 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.091 1.945 . . . . 0.0 109.867 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.23 -45.57 92.73 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.328 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 43.1 mt -99.5 47.38 0.96 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.89 -47.94 78.63 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -46.43 -27.6 1.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.73 -1.605 . . . . 0.0 114.567 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.89 -48.02 1.13 Allowed 'General case' 0 C--N 1.359 0.988 0 CA-C-N 120.309 1.413 . . . . 0.0 113.044 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -64.93 -55.01 21.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.305 2.32 . . . . 0.0 108.783 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.0 t -53.34 -36.4 61.27 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.107 -1.037 . . . . 0.0 110.637 -174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.18 -47.72 73.02 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.45 -65.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.197 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 t -64.32 -24.97 67.83 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 117.906 -1.045 . . . . 0.0 111.888 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 56.8 3.38 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 108.254 -1.938 . . . . 0.0 108.254 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.503 -0.838 0 CA-C-N 117.746 0.773 . . . . 0.0 110.604 -177.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 119.042 -0.866 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.0 mt -81.14 -50.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.04 -48.12 81.05 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.795 -1.098 . . . . 0.0 108.848 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.2 p -48.62 -42.88 35.55 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.579 1.081 . . . . 0.0 110.202 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -67.89 -47.57 68.47 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.612 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 10' ' ' ALA . 7.6 m-85 -63.49 -62.05 1.93 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.042 0.837 . . . . 0.0 109.133 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -34.24 57.46 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.787 1.176 . . . . 0.0 109.714 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.19 94.99 Favored Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.509 -1.329 . . . . 0.0 111.31 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.7 t -103.45 -59.67 3.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-N 118.151 0.975 . . . . 0.0 110.764 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.84 -26.48 62.1 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.221 -1.371 . . . . 0.0 113.865 -174.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.517 1.508 . . . . 0.0 113.779 -174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.45 37.87 3.48 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 119.611 1.096 . . . . 0.0 110.636 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.15 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-O 117.692 -1.147 . . . . 0.0 110.749 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.95 -59.21 2.08 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.089 1.313 . . . . 0.0 112.168 -173.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.48 -46.18 14.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.963 0.801 . . . . 0.0 110.306 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -58.05 -32.69 68.25 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.867 -1.063 . . . . 0.0 111.303 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -53.41 36.29 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.79 1.177 . . . . 0.0 108.389 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.19 87.95 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.96 -37.9 23.19 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-O 117.333 -1.815 . . . . 0.0 112.393 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -80.34 -60.87 2.16 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 120.399 2.099 . . . . 0.0 110.059 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.85 -43.99 86.81 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.467 -170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.71 46.85 0.96 Allowed 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.52 -37.86 85.93 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.226 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -56.57 -21.95 30.18 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.783 -1.579 . . . . 0.0 112.775 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.96 -46.99 0.53 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.423 1.465 . . . . 0.0 113.541 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -62.1 -52.51 63.61 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 122.065 2.211 . . . . 0.0 107.898 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.37 -40.49 90.98 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.148 -0.93 . . . . 0.0 110.477 -174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -61.85 -45.7 92.66 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.451 1.023 . . . . 0.0 109.012 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.24 -64.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 119.873 -0.731 . . . . 0.0 109.196 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -67.76 -21.79 65.25 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.347 0.976 . . . . 0.0 112.143 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.58 54.93 4.8 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.354 0.803 0 CA-C-N 117.915 0.857 . . . . 0.0 109.335 -177.417 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.71 -54.04 15.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.87 -49.85 76.07 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.458 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.3 p -47.39 -42.81 22.64 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.026 1.285 . . . . 0.0 110.956 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -72.85 -46.08 54.86 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.693 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.68 -52.37 63.58 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.786 0.721 . . . . 0.0 109.431 -173.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -25.34 68.06 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.143 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.44 2.68 86.52 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 116.967 -2.019 . . . . 0.0 113.552 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -140.94 -57.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-N 120.627 2.213 . . . . 0.0 110.638 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.71 66.89 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.248 -1.358 . . . . 0.0 112.839 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.2 -41.57 0.61 Allowed 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.05 38.74 3.06 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-N 120.299 1.409 . . . . 0.0 110.019 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.87 -39.75 85.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.504 -176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.0 -59.21 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.934 1.243 . . . . 0.0 112.668 -171.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -84.25 -47.16 11.08 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.105 0.866 . . . . 0.0 110.202 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -58.6 -25.58 62.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.177 -172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -51.75 65.37 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.09 1.314 . . . . 0.0 107.526 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.64 81.14 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.47 -35.4 10.49 Favored Glycine 0 C--N 1.351 1.392 0 CA-C-O 117.546 -1.697 . . . . 0.0 112.459 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -84.71 -63.64 1.3 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-N 120.146 1.973 . . . . 0.0 110.374 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -46.5 89.44 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.468 1.031 . . . . 0.0 109.393 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.6 mt -97.97 47.98 1.01 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -63.49 -46.43 86.16 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -45.02 -28.54 0.7 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.885 -1.531 . . . . 0.0 114.362 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -133.28 -46.58 0.83 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.978 1.263 . . . . 0.0 113.482 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -62.1 -53.0 61.59 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 121.935 2.152 . . . . 0.0 108.628 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.05 -36.96 73.52 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.63 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.02 -44.78 79.43 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.06 -65.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 118.48 -0.772 . . . . 0.0 108.918 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t -66.49 -24.74 66.45 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.528 1.058 . . . . 0.0 111.946 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.23 56.5 3.42 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.354 0.804 0 CA-C-N 117.914 0.857 . . . . 0.0 109.441 -177.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.7 mt -76.07 -58.43 4.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.46 -36.33 22.31 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.087 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -64.03 -39.34 93.89 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.871 1.214 . . . . 0.0 109.496 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -69.05 -48.47 62.75 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.273 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.3 -50.9 71.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.521 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -22.61 67.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.283 -1.341 . . . . 0.0 111.277 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.29 3.04 75.57 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-O 117.084 -1.954 . . . . 0.0 113.555 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.8 t -139.39 -57.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 120.584 2.192 . . . . 0.0 110.319 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.71 64.32 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.106 -1.426 . . . . 0.0 113.088 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -47.4 -22.64 0.46 Allowed 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -171.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.98 40.35 1.57 Allowed Glycine 0 C--N 1.354 1.559 0 CA-C-N 121.048 1.749 . . . . 0.0 108.932 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.69 -35.44 60.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-O 117.6 -1.19 . . . . 0.0 110.294 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.42 -52.6 4.57 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.073 1.306 . . . . 0.0 111.643 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -86.11 -48.49 8.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.361 0.528 . . . . 0.0 110.549 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -62.82 -25.41 68.24 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.246 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 -52.16 56.81 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.334 1.424 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.19 85.47 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.99 -35.97 19.46 Favored Glycine 0 C--N 1.351 1.401 0 CA-C-O 117.615 -1.659 . . . . 0.0 112.553 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.69 -61.68 1.86 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.3 2.05 . . . . 0.0 110.096 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.19 -44.87 87.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.504 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -98.53 45.77 1.01 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.78 -47.62 84.36 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -43.79 -31.61 0.86 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.346 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.37 -46.84 1.19 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-N 119.931 1.241 . . . . 0.0 112.88 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -61.61 -55.55 29.49 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 121.964 2.166 . . . . 0.0 108.638 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -57.2 -39.91 76.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.421 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.01 -46.04 90.97 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.835 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.17 -66.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-O 118.591 -0.719 . . . . 0.0 109.313 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -63.35 -25.43 68.29 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.566 1.075 . . . . 0.0 111.935 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 56.52 3.21 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.355 0.817 0 CA-C-N 117.801 0.801 . . . . 0.0 109.249 -177.334 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.8 mt -78.86 -52.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.57 -35.18 65.48 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.426 -1.273 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.7 p -54.64 -40.1 68.64 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.008 1.276 . . . . 0.0 109.686 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -51.36 59.36 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.221 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -63.7 -55.13 25.74 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.23 -0.988 . . . . 0.0 110.239 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -34.29 64.99 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.706 1.139 . . . . 0.0 109.85 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -41.45 73.94 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.501 -1.333 . . . . 0.0 111.315 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.94 -60.78 2.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-N 118.258 1.029 . . . . 0.0 110.79 -172.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.98 -24.13 65.88 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.447 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -35.76 -38.59 0.12 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.75 41.07 1.87 Allowed Glycine 0 C--N 1.355 1.636 0 CA-C-N 120.368 1.44 . . . . 0.0 109.99 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -66.79 -36.25 76.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.947 -1.025 . . . . 0.0 109.984 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -48.74 39.92 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.012 1.278 . . . . 0.0 111.063 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -75.79 -49.08 19.12 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.805 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.67 -28.94 65.16 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.176 -1.393 . . . . 0.0 114.574 -170.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -53.18 51.8 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.642 1.565 . . . . 0.0 107.885 -175.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.86 97.64 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.86 -36.73 14.29 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-O 117.474 -1.736 . . . . 0.0 113.222 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -87.75 -61.94 1.61 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.041 1.921 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.4 1.0 . . . . 0.0 109.461 -174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 mt -100.7 47.8 0.92 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -66.97 -39.05 87.12 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.931 -0.707 . . . . 0.0 109.329 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.7 p -54.45 -26.06 28.71 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.888 -1.529 . . . . 0.0 112.568 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.47 -46.39 0.9 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 120.126 1.33 . . . . 0.0 113.373 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -62.76 -52.97 61.14 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.77 2.077 . . . . 0.0 108.352 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.1 t -58.41 -39.62 80.24 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.358 -175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.6 -45.79 91.25 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.056 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.75 -64.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.277 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -64.59 -25.07 67.81 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.716 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.82 56.13 3.63 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.11 -1.996 . . . . 0.0 108.11 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.356 0.862 0 CA-C-N 117.908 0.854 . . . . 0.0 109.454 -177.112 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.675 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 82.2 mt -81.53 -53.81 11.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -55.98 -34.0 65.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.086 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.3 p -63.2 -47.23 83.45 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.618 1.099 . . . . 0.0 108.754 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -60.94 -47.45 86.36 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.442 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' ALA . 3.3 m-85 -61.5 -60.69 3.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.415 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -54.29 -34.92 61.96 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 118.734 -1.186 . . . . 0.0 109.447 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.28 95.71 Favored Glycine 0 C--N 1.354 1.532 0 C-N-CA 119.583 -1.294 . . . . 0.0 111.506 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.8 t -102.0 -59.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 118.439 1.12 . . . . 0.0 110.727 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.56 -26.51 55.34 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.917 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -46.07 -38.73 8.34 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.575 1.534 . . . . 0.0 113.061 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.92 40.19 2.64 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.642 1.11 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.71 -39.32 84.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 118.333 1.067 . . . . 0.0 111.226 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -52.0 52.99 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.783 0.719 . . . . 0.0 111.155 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.46 -43.37 23.4 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.785 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -53.97 -49.13 69.48 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.769 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -47.78 -53.78 14.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.605 1.093 . . . . 0.0 110.574 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.87 92.8 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 119.066 -1.054 . . . . 0.0 108.662 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.69 -28.77 47.34 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 117.58 -1.678 . . . . 0.0 113.433 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -98.32 -62.86 1.18 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.096 1.948 . . . . 0.0 110.115 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -53.24 -44.91 68.5 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.631 1.105 . . . . 0.0 109.588 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.55 50.01 0.81 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -63.92 -47.92 78.65 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -45.12 -27.95 0.67 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.947 -1.502 . . . . 0.0 114.567 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.4 -46.7 0.98 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 119.988 1.267 . . . . 0.0 113.164 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -62.87 -53.0 60.85 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 121.914 2.143 . . . . 0.0 108.574 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -36.94 74.02 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.726 -174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.99 -44.67 84.17 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.61 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.0 t -66.96 -24.29 66.04 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.36 0.982 . . . . 0.0 112.252 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.86 55.99 3.66 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.354 0.776 0 CA-C-N 117.921 0.861 . . . . 0.0 109.543 -177.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.642 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.0 mt -79.15 -54.11 12.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.17 -44.25 92.15 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.6 p -52.38 -46.82 66.39 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.066 0.848 . . . . 0.0 109.783 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -64.84 -46.61 81.19 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.806 -0.616 . . . . 0.0 111.167 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.6 m-85 -63.28 -58.86 5.76 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.07 -0.967 . . . . 0.0 108.773 -176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.28 66.5 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.384 1.447 . . . . 0.0 108.579 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.87 -42.09 91.93 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.284 -1.286 . . . . 0.0 111.777 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.0 t -109.62 -60.13 3.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.284 1.042 . . . . 0.0 111.073 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.96 -25.05 57.3 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.16 -1.4 . . . . 0.0 114.018 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -48.86 -38.81 23.51 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.068 1.758 . . . . 0.0 112.352 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.46 40.98 2.3 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.16 -39.45 83.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 CA-C-N 118.493 1.147 . . . . 0.0 111.038 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.61 -56.91 9.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.717 0.69 . . . . 0.0 111.084 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -68.72 -45.65 71.0 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.529 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.09 -59.93 3.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.213 -172.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -45.55 -45.09 13.29 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.794 1.633 . . . . 0.0 110.595 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.38 -54.59 38.17 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.474 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.82 -12.6 62.45 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 116.977 -2.013 . . . . 0.0 114.408 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -102.04 -61.43 1.39 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 121.031 2.416 . . . . 0.0 108.377 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.6 -45.11 85.72 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.426 1.012 . . . . 0.0 109.246 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.9 mt -104.88 49.66 0.8 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.84 -46.97 82.65 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -44.5 -29.23 0.68 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.753 -1.594 . . . . 0.0 114.425 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.45 -47.06 0.9 Allowed 'General case' 0 C--N 1.357 0.934 0 CA-C-N 120.312 1.415 . . . . 0.0 113.412 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -65.07 -52.15 57.32 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.565 2.439 . . . . 0.0 109.316 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.8 t -53.6 -37.25 62.83 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.064 -1.054 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -66.73 -45.3 79.12 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.6 mt -64.66 -66.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.023 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -64.2 -24.96 67.86 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.612 1.096 . . . . 0.0 111.835 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.91 56.24 3.35 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.346 -1.902 . . . . 0.0 108.346 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.353 0.76 0 CA-C-N 117.904 0.852 . . . . 0.0 109.228 -177.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.112 -1.382 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.68 -54.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -53.76 -35.76 61.61 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.098 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.3 p -60.06 -47.67 84.92 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.698 1.135 . . . . 0.0 109.232 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -61.16 -42.26 98.25 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.12 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.9 m-85 -70.1 -61.1 1.91 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -176.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -34.63 30.3 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.846 1.203 . . . . 0.0 110.171 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.31 -48.54 63.25 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.493 -1.337 . . . . 0.0 110.836 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.01 -58.55 3.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 118.108 0.954 . . . . 0.0 110.717 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -56.84 -27.51 60.28 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.847 -173.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -46.24 -39.91 10.64 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.62 1.555 . . . . 0.0 113.462 -175.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.14 35.1 5.13 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.7 1.137 . . . . 0.0 110.906 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.31 -38.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-N 118.564 1.182 . . . . 0.0 110.445 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.86 -58.96 4.33 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.96 1.255 . . . . 0.0 111.332 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -74.06 -39.28 63.6 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.743 0.701 . . . . 0.0 111.038 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -71.49 -28.8 64.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.908 -1.044 . . . . 0.0 112.64 -170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.85 71.59 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -176.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.83 88.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.82 -38.53 37.46 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-O 118.171 -1.35 . . . . 0.0 111.964 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -67.05 0.74 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.312 1.556 . . . . 0.0 110.207 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -44.45 96.92 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.036 0.835 . . . . 0.0 110.085 -171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.9 mt -99.79 42.08 1.12 Allowed 'General case' 0 C--N 1.351 0.632 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.45 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -59.94 -46.73 88.44 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.713 1.142 . . . . 0.0 108.216 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -45.54 -30.91 1.59 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.133 -1.413 . . . . 0.0 114.335 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -127.7 -46.72 1.42 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.793 1.179 . . . . 0.0 112.66 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -55.54 33.45 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 121.548 1.976 . . . . 0.0 108.831 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.8 m -59.19 -36.64 75.7 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.881 -176.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -62.74 -39.67 94.83 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.422 1.01 . . . . 0.0 108.454 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.6 -65.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.663 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 t -85.07 4.42 34.16 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.52 4.96 89.39 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 117.361 -1.799 . . . . 0.0 114.378 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.354 0.774 0 CA-C-N 120.561 2.181 . . . . 0.0 110.048 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.673 0 CA-C-O 118.461 -1.188 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.3 mt -76.87 -52.65 16.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.53 -37.59 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.411 -1.281 . . . . 0.0 110.618 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -57.12 -46.79 82.35 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.473 1.488 . . . . 0.0 109.567 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -66.54 -41.39 88.78 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.273 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.1 t80 -69.09 -56.63 7.12 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -172.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -33.38 69.77 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.485 1.038 . . . . 0.0 109.612 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.87 -46.55 93.9 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 119.442 -1.361 . . . . 0.0 110.781 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.14 -58.97 3.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 117.812 0.806 . . . . 0.0 110.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.76 -26.5 61.95 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.909 -173.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -42.48 -40.33 2.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.47 1.486 . . . . 0.0 114.132 -175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.08 35.98 4.39 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.793 1.179 . . . . 0.0 110.642 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.03 -39.43 81.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.601 -1.19 . . . . 0.0 110.552 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.81 -56.93 3.53 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 112.676 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -82.61 -45.79 14.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 118.429 0.558 . . . . 0.0 110.237 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.35 -25.64 65.99 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.176 -175.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.51 -52.48 64.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.135 1.334 . . . . 0.0 107.48 -176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.37 89.28 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.9 -37.36 21.85 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.063 -1.41 . . . . 0.0 112.119 175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.97 -68.04 0.72 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.616 1.708 . . . . 0.0 110.422 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.98 -45.4 92.83 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.284 0.947 . . . . 0.0 109.778 -172.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.11 49.22 0.95 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.17 -49.14 73.25 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -44.54 -29.19 0.68 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.005 -1.474 . . . . 0.0 114.526 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.08 -46.56 1.12 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.908 1.231 . . . . 0.0 113.142 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.65 -53.71 47.11 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 121.751 2.069 . . . . 0.0 108.271 -177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.71 -43.86 76.91 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.448 -0.901 . . . . 0.0 109.992 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -59.98 -43.3 95.22 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.751 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.46 -58.0 9.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.3 t -82.86 4.06 27.11 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 117.239 -1.362 . . . . 0.0 114.098 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.76 41.81 97.73 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 121.362 1.892 . . . . 0.0 109.775 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.354 0.801 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.657 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 92.4 mt -73.48 -52.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.01 -37.33 69.0 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.548 -1.215 . . . . 0.0 110.785 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.9 p -60.35 -45.09 94.69 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.245 1.384 . . . . 0.0 109.441 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -66.94 -42.99 84.35 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.168 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -66.57 -53.74 31.27 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 119.813 -0.755 . . . . 0.0 109.17 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -37.32 78.98 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.811 1.187 . . . . 0.0 108.719 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.48 93.83 Favored Glycine 0 C--N 1.353 1.517 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -98.38 -59.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 117.887 0.843 . . . . 0.0 110.227 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.06 66.71 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.024 -1.465 . . . . 0.0 114.548 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -47.14 -39.0 12.64 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 121.036 1.743 . . . . 0.0 112.879 -175.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.89 39.3 2.95 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.507 1.049 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.0 -41.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 118.585 1.192 . . . . 0.0 110.691 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.62 -50.19 9.88 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 119.532 1.06 . . . . 0.0 111.973 -171.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -87.49 -45.2 10.7 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.451 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -55.77 -38.42 69.85 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.099 -0.953 . . . . 0.0 112.015 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.4 -52.85 20.02 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.97 0.804 . . . . 0.0 108.93 -177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.95 86.18 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.15 -30.61 17.56 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.657 -1.635 . . . . 0.0 113.294 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -94.66 -59.04 2.02 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.984 1.892 . . . . 0.0 111.324 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.43 -42.02 95.19 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.201 1.364 . . . . 0.0 109.021 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.82 42.86 1.09 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.59 -45.81 92.59 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.483 1.038 . . . . 0.0 108.496 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 t -46.87 -27.03 1.11 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.931 -1.509 . . . . 0.0 114.342 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -130.93 -45.76 1.03 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.05 1.295 . . . . 0.0 113.202 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -58.56 -57.74 11.64 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 121.879 2.127 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.5 m -55.78 -37.09 68.11 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.548 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.693 1.133 . . . . 0.0 108.214 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.7 mt -70.44 -67.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.146 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -66.09 -31.14 71.84 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.596 1.089 . . . . 0.0 112.371 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 81.1 69.99 1.37 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 106.018 -2.833 . . . . 0.0 106.018 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.355 0.809 0 CA-C-N 117.895 0.848 . . . . 0.0 110.153 -174.359 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.88 -52.19 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.16 -35.4 67.16 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.794 -1.098 . . . . 0.0 110.659 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 p -56.56 -40.82 75.82 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.872 1.215 . . . . 0.0 109.402 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -66.69 -52.04 49.23 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.106 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ALA . 44.5 m-85 -61.37 -56.95 14.64 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.104 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -28.77 67.01 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.971 1.714 . . . . 0.0 110.049 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.5 92.24 Favored Glycine 0 C--N 1.353 1.487 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.53 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.9 -60.99 2.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 118.387 1.093 . . . . 0.0 110.821 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -48.76 -36.93 17.6 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.122 -0.942 . . . . 0.0 112.955 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.33 -38.99 0.59 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.94 38.88 2.47 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 120.077 1.308 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 9.5 p -77.0 -36.19 24.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 117.386 -1.292 . . . . 0.0 110.772 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' VAL . . . -38.85 -51.37 1.74 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.083 1.31 . . . . 0.0 112.531 -175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -88.75 -47.51 8.18 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.834 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -56.58 -29.43 62.04 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.605 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -53.2 37.91 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.54 88.39 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -48.76 -28.86 7.43 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.791 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -99.8 -62.02 1.29 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.218 2.009 . . . . 0.0 111.422 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.812 1.642 . . . . 0.0 108.946 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -100.35 46.1 0.96 Allowed 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -65.23 -47.51 76.57 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -45.84 -26.84 0.74 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.976 -1.487 . . . . 0.0 114.54 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.08 -45.15 1.26 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.789 1.177 . . . . 0.0 113.169 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -61.33 -54.9 37.92 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.765 2.075 . . . . 0.0 109.107 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.8 m -58.67 -35.74 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.282 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.94 -40.38 94.94 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 119.766 1.166 . . . . 0.0 108.231 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -69.52 -67.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 118.781 0.719 . . . . 0.0 109.233 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 t -68.15 -30.62 69.78 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.548 1.067 . . . . 0.0 112.525 -174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.99 69.58 1.39 Allowed Glycine 0 C--N 1.352 1.434 0 N-CA-C 105.979 -2.849 . . . . 0.0 105.979 -171.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.354 0.801 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -174.239 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.683 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.36 -55.55 6.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 mt -57.46 -45.18 85.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.932 176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.7 p -49.08 -44.17 41.74 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.341 0.973 . . . . 0.0 109.507 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -65.34 -53.36 44.79 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.746 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' ALA . 49.4 m-85 -61.84 -56.41 19.72 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.59 1.086 . . . . 0.0 110.705 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.98 66.27 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.562 1.528 . . . . 0.0 108.975 -179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.2 99.48 Favored Glycine 0 C--N 1.353 1.48 0 C-N-CA 119.407 -1.378 . . . . 0.0 111.375 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.1 -61.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 118.289 1.045 . . . . 0.0 111.073 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -61.89 -20.36 63.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 116.818 -1.563 . . . . 0.0 114.328 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -45.21 -38.51 5.47 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 121.167 1.803 . . . . 0.0 112.918 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.67 39.58 2.83 Favored Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.36 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-N 118.334 1.067 . . . . 0.0 110.044 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.98 -53.39 7.76 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.47 1.032 . . . . 0.0 111.758 -173.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -82.56 -47.95 11.55 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.066 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.92 -35.82 69.47 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.008 -0.996 . . . . 0.0 112.495 -173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.7 -52.96 27.48 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -45.93 87.38 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -49.41 -29.85 11.4 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-O 117.527 -1.707 . . . . 0.0 113.411 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -96.91 -59.73 1.74 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 120.027 1.913 . . . . 0.0 111.42 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.32 -43.24 96.55 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.319 1.418 . . . . 0.0 108.773 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.4 mt -100.76 45.91 0.96 Allowed 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.36 -47.4 79.44 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -47.05 -26.31 1.02 Allowed 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.036 -1.459 . . . . 0.0 114.352 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -128.94 -45.19 1.28 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.947 1.249 . . . . 0.0 113.227 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -60.63 -56.37 22.12 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.596 1.998 . . . . 0.0 108.901 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.52 -35.16 69.92 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.485 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -66.64 -40.36 88.67 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.805 1.184 . . . . 0.0 108.293 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.5 mt -68.76 -67.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.924 0.784 . . . . 0.0 108.95 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -67.33 -30.96 70.93 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.465 1.03 . . . . 0.0 112.811 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.77 1.38 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 106.044 -2.822 . . . . 0.0 106.044 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--N 1.355 0.834 0 CA-C-N 117.915 0.858 . . . . 0.0 108.874 -174.213 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.659 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.5 -51.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.42 -37.33 67.51 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.814 -1.089 . . . . 0.0 110.391 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.1 p -61.05 -41.26 96.26 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.996 1.271 . . . . 0.0 109.592 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -67.75 -45.62 74.42 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.831 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.7 m-85 -65.97 -60.83 2.46 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.95 62.01 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 119.746 1.157 . . . . 0.0 109.766 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.12 88.12 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 120.09 1.313 . . . . 0.0 111.335 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -103.52 -59.87 3.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 118.322 1.061 . . . . 0.0 110.586 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.69 -28.24 54.52 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.479 -174.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -46.07 -38.85 8.46 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.422 1.464 . . . . 0.0 113.224 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.65 39.95 2.72 Favored Glycine 0 C--N 1.356 1.685 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.85 -35.28 64.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.063 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.62 -64.05 0.63 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-N 119.849 1.204 . . . . 0.0 112.92 -171.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -75.66 -50.5 15.23 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.777 1.172 . . . . 0.0 109.611 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -49.22 -37.62 23.7 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.426 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.84 -54.36 15.56 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.22 85.21 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -51.4 -26.29 14.31 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.306 -1.83 . . . . 0.0 113.227 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -98.87 -56.35 2.46 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.225 2.012 . . . . 0.0 111.16 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.51 -45.36 94.1 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.412 1.46 . . . . 0.0 108.936 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -99.7 45.57 0.99 Allowed 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.78 -47.19 86.3 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -45.08 -27.47 0.58 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-O 116.888 -1.53 . . . . 0.0 114.671 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.49 -47.81 0.9 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.187 1.358 . . . . 0.0 113.205 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -52.94 62.33 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.775 2.08 . . . . 0.0 108.536 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.15 -38.04 78.77 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 118.264 -0.875 . . . . 0.0 110.916 -175.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.64 -43.86 88.2 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.423 1.011 . . . . 0.0 108.598 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.26 -62.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -70.21 -20.5 63.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.172 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.64 53.92 5.7 Favored Glycine 0 C--N 1.353 1.489 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.029 0.915 . . . . 0.0 109.408 -177.703 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.8 mt -77.33 -51.48 18.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.49 -37.45 70.39 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.345 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.2 p -60.41 -40.82 92.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.833 1.197 . . . . 0.0 109.476 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -67.48 -48.16 67.96 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' ALA . 4.0 m-85 -60.95 -62.96 1.48 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.255 -0.878 . . . . 0.0 109.231 -178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -35.35 62.95 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 120.315 1.416 . . . . 0.0 109.292 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.91 -44.02 98.62 Favored Glycine 0 C--N 1.352 1.44 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.517 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -104.11 -59.82 3.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 118.068 0.934 . . . . 0.0 110.599 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -55.73 -28.62 56.74 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.97 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -46.63 -40.0 12.26 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.569 1.532 . . . . 0.0 113.284 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.02 40.04 2.69 Favored Glycine 0 C--N 1.356 1.678 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.06 -39.95 75.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.822 -177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.93 -49.82 5.88 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.733 1.151 . . . . 0.0 112.139 -172.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -84.38 -48.6 9.5 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.144 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.33 -36.76 71.55 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.146 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.18 -53.32 13.42 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 118.957 0.798 . . . . 0.0 108.906 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.83 -44.88 88.39 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.6 -26.7 10.73 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-O 117.321 -1.821 . . . . 0.0 113.446 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -98.65 -57.96 2.07 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.176 1.988 . . . . 0.0 111.361 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.03 -44.98 96.59 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.425 1.466 . . . . 0.0 108.777 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.28 47.18 0.96 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.97 -48.89 74.69 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 t -45.46 -28.07 0.83 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.84 -1.552 . . . . 0.0 114.585 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.48 -47.61 1.18 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 120.074 1.306 . . . . 0.0 112.994 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -64.07 -54.73 29.46 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 121.903 2.138 . . . . 0.0 108.303 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.66 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -64.33 -46.3 84.11 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -66.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -64.62 -24.17 67.5 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.424 1.011 . . . . 0.0 111.972 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.02 55.51 3.76 Favored Glycine 0 C--N 1.353 1.503 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.354 0.789 0 CA-C-N 117.901 0.85 . . . . 0.0 109.278 -177.494 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.647 0 CA-C-O 118.663 -1.076 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 87.4 mt -75.07 -52.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.56 -48.18 82.15 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.811 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 86.8 p -48.47 -49.3 36.16 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.931 1.241 . . . . 0.0 110.087 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.27 -43.31 82.13 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.157 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -66.72 -54.69 20.27 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.095 -172.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.56 79.71 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.854 1.207 . . . . 0.0 108.116 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.79 -42.76 79.77 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 119.838 1.199 . . . . 0.0 111.577 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.93 -60.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 117.882 0.841 . . . . 0.0 110.402 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -21.03 66.39 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.91 -1.519 . . . . 0.0 114.646 -171.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -48.71 -38.63 21.99 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 121.331 1.878 . . . . 0.0 112.639 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.72 38.14 3.45 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 119.462 1.028 . . . . 0.0 110.778 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.32 -41.79 81.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 118.78 1.29 . . . . 0.0 110.632 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.32 -53.15 5.43 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.536 1.062 . . . . 0.0 112.416 -170.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -86.33 -45.28 11.37 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.462 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.9 -30.48 65.92 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.588 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.71 -52.76 45.93 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.41 93.74 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.55 -31.72 7.23 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 117.546 -1.697 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -96.9 -59.78 1.73 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.998 1.899 . . . . 0.0 111.76 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.47 -42.91 97.19 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.61 1.55 . . . . 0.0 108.907 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.19 46.82 0.95 Allowed 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.3 -46.72 79.21 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -44.78 -30.24 0.93 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.191 -1.385 . . . . 0.0 114.238 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.83 -45.3 1.6 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.747 -1.12 . . . . 0.0 113.13 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.6 -54.76 41.52 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.63 2.014 . . . . 0.0 109.159 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.84 -38.07 81.01 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.075 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -62.4 -40.02 95.16 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.654 1.115 . . . . 0.0 108.652 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.0 mt -70.4 -68.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.725 0 CA-C-N 118.927 0.785 . . . . 0.0 109.34 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -68.12 -31.67 71.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.625 1.102 . . . . 0.0 112.796 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.79 70.17 1.36 Allowed Glycine 0 C--N 1.352 1.459 0 N-CA-C 105.844 -2.902 . . . . 0.0 105.844 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.354 0.799 0 CA-C-N 117.765 0.783 . . . . 0.0 108.896 -174.074 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.119 -1.379 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 83.2 mt -81.67 -54.73 9.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.58 -35.74 61.14 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.335 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -62.41 -48.77 78.22 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.481 1.037 . . . . 0.0 108.8 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.37 -43.14 92.93 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.94 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' ALA . 9.5 m-85 -67.72 -62.9 1.19 Allowed 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.814 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.47 54.25 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.395 1.452 . . . . 0.0 109.814 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.21 -49.99 69.37 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 119.445 -1.359 . . . . 0.0 110.768 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.6 t -98.57 -59.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 117.916 0.858 . . . . 0.0 110.68 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' PHE . . . -57.61 -25.37 59.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.017 -1.468 . . . . 0.0 114.228 -173.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -45.9 -39.74 9.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.944 1.702 . . . . 0.0 113.094 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.57 40.81 2.42 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.39 -42.15 87.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 118.291 1.045 . . . . 0.0 109.97 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.16 -48.22 12.31 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.663 1.12 . . . . 0.0 111.597 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -85.08 -45.23 12.29 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.11 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.88 -46.1 88.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.205 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.27 -51.68 8.14 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.006 0.821 . . . . 0.0 109.377 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.43 77.73 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.92 55.65 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-O 117.119 -1.934 . . . . 0.0 113.87 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -94.01 -59.88 1.87 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.542 2.171 . . . . 0.0 111.008 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.84 -41.24 97.57 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.16 1.346 . . . . 0.0 108.983 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 mt -101.26 46.09 0.95 Allowed 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -44.9 95.03 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 t -46.18 -27.59 1.03 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.641 -1.647 . . . . 0.0 114.334 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.52 -46.73 0.82 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 120.41 1.459 . . . . 0.0 113.461 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.44 -53.38 53.13 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 122.21 2.277 . . . . 0.0 109.068 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.41 -36.46 64.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.319 -0.952 . . . . 0.0 110.626 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -67.13 -46.12 75.07 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.03 -65.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 t -64.95 -26.03 68.13 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.394 0.997 . . . . 0.0 111.788 -177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.37 57.27 2.99 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.355 0.828 0 CA-C-N 117.819 0.809 . . . . 0.0 109.369 -177.642 . . . . . . . . 0 0 . 1 stop_ save_