data_6pvr_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6pvr _Structure_validation_residue.Date_analyzed 2020-01-31 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 ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.615 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.696 0.284 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.655 0.264 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.859 0.361 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.67 0.272 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.717 0.294 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.806 0.336 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.432 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.691 0.281 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.626 0.251 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.65 0.262 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.672 0.273 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.534 0.207 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.739 0.304 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.827 0.346 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.747 0.308 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 121.065 0.46 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.999 0.428 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.35 -41.42 85.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -87.59 124.47 67.62 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.613 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.67 -28.36 31.09 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.867 1.711 . . . . 0.0 112.294 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -13.05 33.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.78 -37.48 84.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.19 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.445 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -81.58 143.04 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.665 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.38 -43.41 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.467 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.84 100.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.363 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.24 -41.42 85.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -87.59 124.4 67.75 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.633 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.46 -28.55 32.2 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.85 1.7 . . . . 0.0 112.279 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -13.06 33.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.91 -38.19 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.655 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.8 -37.49 84.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.15 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.67 142.92 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.697 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.2 -43.48 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.9 100.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.886 -1.055 . . . . 0.0 110.414 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.39 -41.37 85.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.68 124.46 67.47 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.49 -28.49 32.12 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.882 1.721 . . . . 0.0 112.308 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -13.09 34.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.83 -37.4 84.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 62.15 -84.44 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.56 143.12 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.662 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.5 -43.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.439 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.74 100.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.366 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.23 -41.38 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.796 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.72 124.46 67.4 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.637 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.54 -28.39 31.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.925 1.75 . . . . 0.0 112.28 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -12.79 34.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -60.17 -38.06 82.06 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.68 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.0 -37.45 84.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.18 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.411 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -81.57 142.89 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.721 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.2 -43.46 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.94 100.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.999 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.387 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -122.11 126.36 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -92.05 159.84 36.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.59 -49.41 17.41 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.347 2.031 . . . . 0.0 112.195 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -30.71 67.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -33.4 70.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.39 53.63 12.02 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.966 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.68 -27.81 7.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -66.99 172.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -49.03 138.91 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.593 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.19 126.3 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.457 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.02 159.69 37.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -49.29 17.89 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.397 2.065 . . . . 0.0 112.229 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -30.99 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -66.21 -40.96 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.517 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.5 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.45 53.67 11.93 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.892 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.85 8.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 pt -66.9 172.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.98 138.95 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.662 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -122.11 126.32 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.22 159.8 36.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -49.48 17.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.28 1.987 . . . . 0.0 112.213 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -31.38 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -33.51 69.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.35 53.77 11.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.888 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.77 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.19 172.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -48.83 138.9 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.697 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.03 126.38 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.04 159.68 37.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.45 -49.41 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.357 2.038 . . . . 0.0 112.22 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.05 67.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.271 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.28 -40.75 90.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -33.42 70.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 52.35 53.69 11.95 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.871 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.67 -27.83 7.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.0 172.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -49.1 138.82 11.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.59 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.8 135.3 50.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -101.48 115.92 64.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.49 -26.71 81.28 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.15 1.9 . . . . 0.0 112.216 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.74 -38.77 91.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.91 -11.53 60.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.09 -178.88 0.22 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.27 168.35 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mm -108.0 129.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.74 137.52 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttp85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.604 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -109.76 135.5 50.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -101.55 115.88 64.35 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.38 -26.68 81.77 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.82 -38.77 92.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.357 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.52 -40.28 96.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.05 -11.32 60.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.99 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.26 168.32 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.645 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 mm -107.99 129.71 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.363 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.85 137.49 58.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.544 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.85 135.32 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -101.37 115.81 64.56 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.41 -26.57 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.13 1.887 . . . . 0.0 112.296 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.96 -38.24 90.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.522 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.76 -11.26 60.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t30 70.95 -178.8 0.22 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.861 0.363 . . . . 0.0 110.787 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.3 168.4 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.12 129.46 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.311 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.72 137.56 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.563 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.82 135.32 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -101.37 115.76 64.62 Favored Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.36 -26.63 81.8 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.147 1.898 . . . . 0.0 112.263 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.62 -38.92 92.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.448 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.54 -40.49 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.794 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.59 -11.97 60.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.48 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.42 168.39 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.597 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.08 129.57 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.333 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.73 137.47 58.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.508 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.68 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.3 71.72 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.946 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.03 -32.73 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.676 2.251 . . . . 0.0 112.185 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -29.61 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.388 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -59.98 -46.95 87.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.07 -37.51 78.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.25 -42.74 99.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.25 127.67 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.63 -173.48 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.44 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.67 -78.15 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.22 118.29 71.7 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.966 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.01 -32.74 87.2 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.5 2.133 . . . . 0.0 112.272 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -29.45 59.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.461 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.1 -46.3 81.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp -60.27 -47.02 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.09 -37.4 78.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.627 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -62.33 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.19 127.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.64 -173.54 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.664 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.473 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 65.6 -78.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.363 0.414 . . . . 0.0 110.751 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.27 71.62 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.947 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -56.0 -32.78 87.29 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.497 2.131 . . . . 0.0 112.298 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -29.51 59.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.318 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.99 -37.45 78.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -62.36 -42.87 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.07 127.76 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.61 -173.45 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.532 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.62 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.26 118.19 71.26 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.892 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.82 -32.88 86.49 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.595 2.196 . . . . 0.0 112.175 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.65 59.4 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.391 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.75 -46.52 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.366 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.2 -46.97 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.97 -37.57 78.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.63 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.405 HG23 HD11 ' D' ' 31' ' ' ILE . 96.4 mt -130.12 127.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.751 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -98.66 -173.57 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -70.47 -31.45 68.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.4 123.73 66.16 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.67 -23.1 49.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.216 1.944 . . . . 0.0 112.285 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -34.46 78.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt -72.37 -27.08 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.44 114.8 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.514 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.53 39.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.17 141.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.81 159.02 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.587 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -70.28 -31.45 68.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.46 123.75 66.02 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.346 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.56 -23.25 50.09 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.201 1.934 . . . . 0.0 112.261 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -34.44 78.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.887 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.82 -41.1 97.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.432 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.18 -26.9 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.78 114.91 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.4 122.43 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.1 141.3 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.628 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.85 158.98 37.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.61 179.764 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -70.43 -31.44 68.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.39 123.69 66.28 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.47 -23.27 50.78 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.161 1.907 . . . . 0.0 112.33 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -34.59 78.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.822 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.96 -27.16 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.58 114.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.52 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -52.13 141.34 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.89 158.91 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.601 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.621 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.39 -31.51 68.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.42 123.71 66.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.59 -23.09 50.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.185 1.923 . . . . 0.0 112.295 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -34.18 77.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.13 -40.82 96.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -26.96 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.7 114.9 2.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.455 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -122.41 122.45 39.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.15 141.36 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.707 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.86 158.96 37.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.565 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.09 64.18 1.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.718 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.52 148.06 69.12 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.05 -21.37 68.21 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.518 2.145 . . . . 0.0 112.226 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -36.92 70.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -34.56 75.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 68.16 170.95 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.07 -11.11 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -27.42 7.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.25 128.53 36.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.648 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.194 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.16 64.17 1.92 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.55 148.11 69.1 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.089 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.1 -21.4 67.97 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -36.65 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.17 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.85 -41.98 96.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -34.56 75.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.9 t30 68.22 170.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.647 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.27 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -27.22 6.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 128.48 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.324 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.0 64.09 1.95 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -79.35 147.97 69.58 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.17 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.0 -21.48 68.43 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.965 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -34.56 75.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.14 170.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.95 -11.26 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.79 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -27.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.45 128.5 36.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.335 179.605 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.03 64.04 1.97 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.756 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.57 148.15 69.11 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.101 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -21.63 68.5 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.56 2.174 . . . . 0.0 112.242 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -37.0 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.168 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.79 -42.04 96.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -34.82 75.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.24 170.84 0.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.18 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -27.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.75 0.31 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.24 128.67 36.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.347 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 mmm . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.26 5.27 21.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.296 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -92.69 127.6 47.43 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.74 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.25 -26.32 64.35 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.603 2.202 . . . . 0.0 112.52 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.45 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.31 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.66 -21.74 55.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -39.52 69.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.68 -39.52 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.44 98.26 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.68 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.27 -37.5 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.584 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -109.9 5.42 22.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.81 127.67 46.89 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.789 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.27 -26.37 64.2 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.642 2.228 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -32.84 73.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.85 -37.98 89.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -77.12 -21.56 54.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -39.36 69.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.79 -39.63 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.697 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.49 98.2 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.18 -37.29 7.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.646 -179.82 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.15 5.41 21.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.64 127.72 47.07 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.743 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.36 -26.29 63.55 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.541 2.16 . . . . 0.0 112.545 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.11 -21.79 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -39.32 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.94 -39.86 91.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.22 98.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.159 0.504 . . . . 0.0 110.732 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.24 -37.29 7.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.572 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.49 5.53 21.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.363 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -92.81 127.51 47.53 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.712 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.14 -26.34 65.23 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.527 2.151 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -32.89 73.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.73 -38.11 89.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.94 -21.87 54.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -39.59 69.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.61 -39.83 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.34 98.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.23 -37.65 7.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.513 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -120.06 132.65 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.49 147.12 32.5 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.73 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.05 -18.93 40.1 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.84 2.36 . . . . 0.0 112.422 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.2 18.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.31 -14.59 60.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.7 34.76 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -63.27 -38.65 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.86 -26.74 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -92.31 -1.62 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -119.87 133.21 55.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -96.03 147.23 32.65 Favored Pre-proline 0 C--O 1.236 0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -69.23 -19.12 39.06 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.655 2.237 . . . . 0.0 112.431 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -19.61 18.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -67.29 -30.25 70.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.713 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.93 -14.53 60.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.6 34.53 24.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.86 -39.0 93.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.641 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.53 -27.06 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.97 -1.16 57.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.29 132.61 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.38 146.9 32.13 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.8 -19.11 41.36 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.827 2.351 . . . . 0.0 112.529 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -19.54 18.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.429 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.72 -14.32 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 56.39 34.83 24.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -63.09 -38.79 92.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.01 -26.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -92.33 -0.87 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -121.13 132.17 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.11 147.05 32.4 Favored Pre-proline 0 C--O 1.236 0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.07 -18.97 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.803 2.336 . . . . 0.0 112.422 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -19.43 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.45 -30.12 69.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.811 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.24 -14.37 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.44 34.9 25.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -63.32 -38.52 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.08 -26.69 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -92.54 -0.86 57.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 58.44 71.69 0.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.339 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -69.26 156.89 90.71 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.21 -43.02 56.31 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.681 2.254 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -32.64 73.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.66 -10.47 59.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 59.72 38.1 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.789 0.328 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.12 18.54 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.3 mt 60.57 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 120.935 0.397 . . . . 0.0 110.419 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.43 176.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.739 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.32 71.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.35 156.96 90.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.32 -42.84 58.03 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.579 2.186 . . . . 0.0 112.245 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -32.75 73.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -62.41 -45.75 91.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.15 -10.49 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t30 59.75 38.0 21.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.633 0.254 . . . . 0.0 110.558 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 60.3 18.46 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt 60.53 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.987 0.423 . . . . 0.0 110.394 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.4 176.09 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.572 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.59 71.73 0.57 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.41 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.39 156.96 90.64 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.24 -42.89 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.66 2.24 . . . . 0.0 112.15 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -32.76 73.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -79.13 -10.61 59.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 59.87 38.12 21.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.23 18.59 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt 60.41 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.029 0.442 . . . . 0.0 110.379 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.3 176.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.559 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 58.74 71.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.36 157.0 90.54 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.34 -42.81 58.31 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.613 2.209 . . . . 0.0 112.188 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.67 73.47 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.677 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.53 -45.82 91.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.93 -11.49 60.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 t30 60.45 38.17 19.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.768 0.318 . . . . 0.0 110.443 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.04 18.6 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.968 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt 60.36 158.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.946 0.403 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 176.27 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.507 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -80.59 130.65 35.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.99 115.91 64.01 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.06 -39.51 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.864 2.376 . . . . 0.0 112.271 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.26 -7.92 27.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.95 -37.66 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -92.23 33.41 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.666 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.7 mt 64.62 -82.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.226 0 O-C-N 123.674 0.609 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.14 27.91 0.11 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.761 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptt? . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -80.38 130.58 35.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.543 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -101.77 116.41 63.44 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.37 -39.52 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.932 2.421 . . . . 0.0 112.378 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.17 -8.17 29.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.85 72.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.258 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.76 -37.59 84.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.04 0.448 . . . . 0.0 110.615 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -92.25 33.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.5 mt 64.74 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 123.551 0.532 . . . . 0.0 110.669 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.0 27.31 0.12 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.678 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -80.75 130.61 35.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.486 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -101.85 116.09 63.84 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.752 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.11 -39.34 1.2 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.932 2.421 . . . . 0.0 112.305 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.51 -7.84 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.16 -37.77 84.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.11 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.24 33.39 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.649 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt 64.75 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 O-C-N 123.606 0.566 . . . . 0.0 110.623 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -161.95 27.32 0.12 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.649 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 17.8 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.38 130.19 34.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -101.46 115.84 64.45 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.802 2.334 . . . . 0.0 112.4 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.01 -8.23 28.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.8 72.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.21 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.96 -38.01 85.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.41 120.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.42 33.63 1.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt 64.48 -82.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.627 0.579 . . . . 0.0 110.629 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.42 27.77 0.11 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.659 179.781 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.615 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.696 0.284 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.655 0.264 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.859 0.361 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.67 0.272 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 HG23 ' H ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 24' ' ' THR . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 20' ' ' PHE . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.697 ' O ' HG23 ' B' ' 24' ' ' THR . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' PHE . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.717 0.294 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.696 ' O ' HG23 ' C' ' 24' ' ' THR . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.696 HG23 ' O ' ' C' ' 20' ' ' PHE . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ILE . . . . . 0.452 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.4 ' N ' HG12 ' D' ' 7' ' ' ILE . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.695 ' O ' HG23 ' D' ' 24' ' ' THR . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' THR . . . . . 0.695 HG23 ' O ' ' D' ' 20' ' ' PHE . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.806 0.336 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 7' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 7' ' ' ILE . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.417 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.43 ' HA ' ' CE3' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.691 0.281 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' TRP . . . . . 0.439 ' HA ' ' CE3' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 7' ' ' ILE . . . . . 0.434 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.626 0.251 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.65 0.262 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.672 0.273 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.534 0.207 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.739 0.304 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 25' ' ' ILE . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' MET . . . . . 0.433 ' O ' HD12 ' B' ' 25' ' ' ILE . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.433 HD12 ' O ' ' B' ' 21' ' ' MET . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.827 0.346 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' MET . . . . . 0.435 ' O ' HD12 ' C' ' 25' ' ' ILE . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.435 HD12 ' O ' ' C' ' 21' ' ' MET . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.747 0.308 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 25' ' ' ILE . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.434 HD12 ' O ' ' D' ' 21' ' ' MET . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.41 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 121.065 0.46 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.421 ' H ' HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.429 ' H ' HG23 ' C' ' 7' ' ' ILE . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.999 0.428 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 7' ' ' ILE . . . . . 0.406 ' H ' HG23 ' D' ' 7' ' ' ILE . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.35 -41.42 85.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -87.59 124.47 67.62 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.613 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.67 -28.36 31.09 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.867 1.711 . . . . 0.0 112.294 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -13.05 33.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.78 -37.48 84.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.19 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.445 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -81.58 143.04 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.665 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.38 -43.41 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.467 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.84 100.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.363 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.24 -41.42 85.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -87.59 124.4 67.75 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.633 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.46 -28.55 32.2 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.85 1.7 . . . . 0.0 112.279 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -13.06 33.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.91 -38.19 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.655 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.8 -37.49 84.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.15 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.67 142.92 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.697 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.2 -43.48 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.9 100.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.886 -1.055 . . . . 0.0 110.414 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.39 -41.37 85.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.68 124.46 67.47 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.49 -28.49 32.12 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.882 1.721 . . . . 0.0 112.308 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -13.09 34.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.83 -37.4 84.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 62.15 -84.44 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.56 143.12 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.662 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.5 -43.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.439 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.74 100.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.366 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.23 -41.38 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.796 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.72 124.46 67.4 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.637 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.54 -28.39 31.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.925 1.75 . . . . 0.0 112.28 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -12.79 34.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -60.17 -38.06 82.06 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.68 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.0 -37.45 84.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.18 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.411 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -81.57 142.89 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.721 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.2 -43.46 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.94 100.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.999 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.387 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -122.11 126.36 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -92.05 159.84 36.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.59 -49.41 17.41 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.347 2.031 . . . . 0.0 112.195 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -30.71 67.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -33.4 70.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.39 53.63 12.02 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.966 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.68 -27.81 7.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -66.99 172.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -49.03 138.91 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.593 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.19 126.3 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.457 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.02 159.69 37.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -49.29 17.89 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.397 2.065 . . . . 0.0 112.229 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -30.99 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -66.21 -40.96 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.517 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.5 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.45 53.67 11.93 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.892 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.85 8.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 pt -66.9 172.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.98 138.95 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.662 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -122.11 126.32 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.22 159.8 36.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -49.48 17.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.28 1.987 . . . . 0.0 112.213 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -31.38 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -33.51 69.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.35 53.77 11.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.888 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.77 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.19 172.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -48.83 138.9 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.697 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.03 126.38 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.04 159.68 37.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.45 -49.41 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.357 2.038 . . . . 0.0 112.22 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.05 67.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.271 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.28 -40.75 90.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -33.42 70.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 52.35 53.69 11.95 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.871 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.67 -27.83 7.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.0 172.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -49.1 138.82 11.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.59 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.8 135.3 50.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -101.48 115.92 64.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.49 -26.71 81.28 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.15 1.9 . . . . 0.0 112.216 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.74 -38.77 91.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 HG23 ' H ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 24' ' ' THR . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 20' ' ' PHE . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.91 -11.53 60.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.09 -178.88 0.22 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.27 168.35 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mm -108.0 129.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.74 137.52 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttp85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.604 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -109.76 135.5 50.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -101.55 115.88 64.35 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.38 -26.68 81.77 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.82 -38.77 92.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.357 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.52 -40.28 96.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.697 ' O ' HG23 ' B' ' 24' ' ' THR . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' PHE . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.05 -11.32 60.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.99 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.26 168.32 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.645 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 mm -107.99 129.71 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.363 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.85 137.49 58.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.544 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.85 135.32 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -101.37 115.81 64.56 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.41 -26.57 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.13 1.887 . . . . 0.0 112.296 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.96 -38.24 90.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.522 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.696 ' O ' HG23 ' C' ' 24' ' ' THR . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.696 HG23 ' O ' ' C' ' 20' ' ' PHE . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.76 -11.26 60.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t30 70.95 -178.8 0.22 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.861 0.363 . . . . 0.0 110.787 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.3 168.4 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.12 129.46 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.311 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.72 137.56 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.563 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.82 135.32 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -101.37 115.76 64.62 Favored Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.36 -26.63 81.8 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.147 1.898 . . . . 0.0 112.263 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.62 -38.92 92.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.448 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.54 -40.49 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.794 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ILE . . . . . 0.452 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.4 ' N ' HG12 ' D' ' 7' ' ' ILE . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.695 ' O ' HG23 ' D' ' 24' ' ' THR . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' THR . . . . . 0.695 HG23 ' O ' ' D' ' 20' ' ' PHE . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.59 -11.97 60.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.48 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.42 168.39 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.597 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.08 129.57 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.333 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.73 137.47 58.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.508 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.68 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.3 71.72 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.946 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 7' ' ' ILE . 40.9 Cg_exo -56.03 -32.73 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.676 2.251 . . . . 0.0 112.185 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -29.61 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.388 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 4' ' ' PRO . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD23 ' HE1' ' D' ' 5' ' ' PHE . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -59.98 -46.95 87.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.07 -37.51 78.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.25 -42.74 99.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.25 127.67 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.63 -173.48 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.44 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.67 -78.15 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.22 118.29 71.7 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.966 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.428 ' O ' HG12 ' B' ' 7' ' ' ILE . 39.2 Cg_exo -56.01 -32.74 87.2 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.5 2.133 . . . . 0.0 112.272 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.538 ' HE1' HD23 ' C' ' 8' ' ' LEU . 0.0 OUTLIER -75.55 -29.45 59.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.461 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.1 -46.3 81.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 4' ' ' PRO . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp -60.27 -47.02 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.09 -37.4 78.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.627 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -62.33 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.19 127.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.64 -173.54 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.664 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.473 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 65.6 -78.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.363 0.414 . . . . 0.0 110.751 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.27 71.62 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.947 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.427 ' O ' HG12 ' C' ' 7' ' ' ILE . 39.4 Cg_exo -56.0 -32.78 87.29 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.497 2.131 . . . . 0.0 112.298 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -29.51 59.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.318 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.427 HG12 ' O ' ' C' ' 4' ' ' PRO . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.538 HD23 ' HE1' ' B' ' 5' ' ' PHE . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.99 -37.45 78.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -62.36 -42.87 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.07 127.76 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.61 -173.45 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.532 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.62 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.26 118.19 71.26 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.892 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.418 ' O ' HG12 ' D' ' 7' ' ' ILE . 40.0 Cg_exo -55.82 -32.88 86.49 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.595 2.196 . . . . 0.0 112.175 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.444 ' HE1' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -75.57 -29.65 59.4 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.391 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.75 -46.52 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.366 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ILE . . . . . 0.418 HG12 ' O ' ' D' ' 4' ' ' PRO . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.2 -46.97 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.97 -37.57 78.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.63 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.12 127.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.751 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -98.66 -173.57 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -70.47 -31.45 68.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.4 123.73 66.16 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.67 -23.1 49.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.216 1.944 . . . . 0.0 112.285 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -34.46 78.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt -72.37 -27.08 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.44 114.8 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.514 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.53 39.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.17 141.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.81 159.02 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.587 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -70.28 -31.45 68.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.46 123.75 66.02 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.346 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.56 -23.25 50.09 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.201 1.934 . . . . 0.0 112.261 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -34.44 78.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.887 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.82 -41.1 97.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.43 ' HA ' ' CE3' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.18 -26.9 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.78 114.91 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.4 122.43 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.1 141.3 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.628 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.85 158.98 37.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.61 179.764 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -70.43 -31.44 68.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.39 123.69 66.28 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.47 -23.27 50.78 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.161 1.907 . . . . 0.0 112.33 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -34.59 78.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.822 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' TRP . . . . . 0.439 ' HA ' ' CE3' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.96 -27.16 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.58 114.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.52 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -52.13 141.34 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.89 158.91 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.601 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.621 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.39 -31.51 68.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.42 123.71 66.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.59 -23.09 50.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.185 1.923 . . . . 0.0 112.295 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -34.18 77.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.13 -40.82 96.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ILE . . . . . 0.434 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -26.96 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.7 114.9 2.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.455 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -122.41 122.45 39.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.15 141.36 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.707 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.86 158.96 37.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.565 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.09 64.18 1.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.718 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.52 148.06 69.12 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.05 -21.37 68.21 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.518 2.145 . . . . 0.0 112.226 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -36.92 70.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.58 -34.56 75.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 68.16 170.95 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.07 -11.11 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.42 -27.42 7.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.25 128.53 36.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.648 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.194 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.16 64.17 1.92 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.55 148.11 69.1 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.089 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.1 -21.4 67.97 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' C' ' 4' ' ' PRO . 0.0 OUTLIER -57.1 -36.65 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.17 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.85 -41.98 96.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.8 OUTLIER -61.54 -34.56 75.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.9 t30 68.22 170.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.647 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.27 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.454 HG22 ' O ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -51.33 -27.22 6.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 128.48 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.324 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.0 64.09 1.95 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -79.35 147.97 69.58 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.17 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.426 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 30.9 Cg_endo -64.0 -21.48 68.43 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.965 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.45 ' O ' HG22 ' C' ' 31' ' ' ILE . 0.8 OUTLIER -61.38 -34.56 75.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.14 170.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.95 -11.26 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.79 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.45 HG22 ' O ' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -51.24 -27.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 110.431 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.45 128.5 36.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.335 179.605 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.03 64.04 1.97 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.756 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.57 148.15 69.11 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.101 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -21.63 68.5 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.56 2.174 . . . . 0.0 112.242 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -37.0 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.168 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.79 -42.04 96.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.442 ' O ' HG22 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -61.3 -34.82 75.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.24 170.84 0.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.18 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -51.36 -27.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.75 0.31 . . . . 0.0 110.366 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.24 128.67 36.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.347 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 mmm . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.26 5.27 21.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.296 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -92.69 127.6 47.43 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.74 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.25 -26.32 64.35 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.603 2.202 . . . . 0.0 112.52 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.45 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.31 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.66 -21.74 55.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -39.52 69.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.68 -39.52 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.44 98.26 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.68 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.27 -37.5 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.584 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -109.9 5.42 22.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.81 127.67 46.89 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.789 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.27 -26.37 64.2 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.642 2.228 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -32.84 73.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.85 -37.98 89.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -77.12 -21.56 54.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -39.36 69.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.79 -39.63 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.697 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.49 98.2 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.18 -37.29 7.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.646 -179.82 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.15 5.41 21.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.64 127.72 47.07 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.743 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.36 -26.29 63.55 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.541 2.16 . . . . 0.0 112.545 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.11 -21.79 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -39.32 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.94 -39.86 91.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.22 98.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.159 0.504 . . . . 0.0 110.732 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.24 -37.29 7.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.572 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.49 5.53 21.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.363 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -92.81 127.51 47.53 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.712 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.14 -26.34 65.23 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.527 2.151 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -32.89 73.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.73 -38.11 89.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.94 -21.87 54.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -39.59 69.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.61 -39.83 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.34 98.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.23 -37.65 7.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.513 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -120.06 132.65 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.49 147.12 32.5 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.73 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.05 -18.93 40.1 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.84 2.36 . . . . 0.0 112.422 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.2 18.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 25' ' ' ILE . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.31 -14.59 60.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.7 34.76 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -63.27 -38.65 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.86 -26.74 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -92.31 -1.62 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -119.87 133.21 55.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -96.03 147.23 32.65 Favored Pre-proline 0 C--O 1.236 0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -69.23 -19.12 39.06 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.655 2.237 . . . . 0.0 112.431 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -19.61 18.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -67.29 -30.25 70.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.713 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' MET . . . . . 0.433 ' O ' HD12 ' B' ' 25' ' ' ILE . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.433 HD12 ' O ' ' B' ' 21' ' ' MET . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.93 -14.53 60.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.6 34.53 24.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.86 -39.0 93.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.641 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.53 -27.06 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.97 -1.16 57.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.29 132.61 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.38 146.9 32.13 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.8 -19.11 41.36 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.827 2.351 . . . . 0.0 112.529 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -19.54 18.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.429 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' MET . . . . . 0.435 ' O ' HD12 ' C' ' 25' ' ' ILE . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.435 HD12 ' O ' ' C' ' 21' ' ' MET . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.72 -14.32 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 56.39 34.83 24.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -63.09 -38.79 92.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.01 -26.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -92.33 -0.87 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -121.13 132.17 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.11 147.05 32.4 Favored Pre-proline 0 C--O 1.236 0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.07 -18.97 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.803 2.336 . . . . 0.0 112.422 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -19.43 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.45 -30.12 69.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.811 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 25' ' ' ILE . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.434 HD12 ' O ' ' D' ' 21' ' ' MET . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.24 -14.37 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.44 34.9 25.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -63.32 -38.52 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.08 -26.69 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -92.54 -0.86 57.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 58.44 71.69 0.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.339 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 7' ' ' ILE . 15.2 mm-40 -69.26 156.89 90.71 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.21 -43.02 56.31 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.681 2.254 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -32.64 73.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.66 -10.47 59.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 59.72 38.1 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.789 0.328 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.12 18.54 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 32' ' ' LYS . 60.3 mt 60.57 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 120.935 0.397 . . . . 0.0 110.419 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER 65.43 176.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.739 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.32 71.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 7' ' ' ILE . 15.1 mm-40 -69.35 156.96 90.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.32 -42.84 58.03 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.579 2.186 . . . . 0.0 112.245 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -32.75 73.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -62.41 -45.75 91.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.421 ' H ' HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.15 -10.49 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t30 59.75 38.0 21.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.633 0.254 . . . . 0.0 110.558 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 60.3 18.46 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.468 HG22 ' N ' ' B' ' 32' ' ' LYS . 60.0 mt 60.53 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.987 0.423 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.468 ' N ' HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER 65.4 176.09 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.572 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.59 71.73 0.57 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.41 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.408 ' O ' HG23 ' C' ' 7' ' ' ILE . 15.1 mm-40 -69.39 156.96 90.64 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.24 -42.89 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.66 2.24 . . . . 0.0 112.15 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -32.76 73.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.429 ' H ' HG23 ' C' ' 7' ' ' ILE . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -79.13 -10.61 59.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 59.87 38.12 21.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.23 18.59 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.464 HG22 ' N ' ' C' ' 32' ' ' LYS . 60.0 mt 60.41 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.029 0.442 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.464 ' N ' HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER 65.3 176.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.559 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 58.74 71.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.407 ' O ' HG23 ' D' ' 7' ' ' ILE . 14.9 mm-40 -69.36 157.0 90.54 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.34 -42.81 58.31 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.613 2.209 . . . . 0.0 112.188 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.67 73.47 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.677 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.53 -45.82 91.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ILE . . . . . 0.407 HG23 ' O ' ' D' ' 3' ' ' GLU . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.93 -11.49 60.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 t30 60.45 38.17 19.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.768 0.318 . . . . 0.0 110.443 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.04 18.6 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.968 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.47 HG22 ' N ' ' D' ' 32' ' ' LYS . 60.0 mt 60.36 158.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.946 0.403 . . . . 0.0 110.468 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' LYS . . . . . 0.47 ' N ' HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER 65.35 176.27 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.507 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -80.59 130.65 35.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.99 115.91 64.01 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.06 -39.51 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.864 2.376 . . . . 0.0 112.271 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.26 -7.92 27.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.95 -37.66 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -92.23 33.41 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.666 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.7 mt 64.62 -82.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.226 0 O-C-N 123.674 0.609 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.14 27.91 0.11 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.761 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptt? . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -80.38 130.58 35.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.543 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -101.77 116.41 63.44 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.37 -39.52 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.932 2.421 . . . . 0.0 112.378 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.17 -8.17 29.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.85 72.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.258 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.76 -37.59 84.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.04 0.448 . . . . 0.0 110.615 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -92.25 33.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.5 mt 64.74 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 123.551 0.532 . . . . 0.0 110.669 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.0 27.31 0.12 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.678 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -80.75 130.61 35.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.486 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -101.85 116.09 63.84 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.752 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.11 -39.34 1.2 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.932 2.421 . . . . 0.0 112.305 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.51 -7.84 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.16 -37.77 84.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.11 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.24 33.39 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.649 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt 64.75 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 O-C-N 123.606 0.566 . . . . 0.0 110.623 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -161.95 27.32 0.12 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.649 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 17.8 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.38 130.19 34.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -101.46 115.84 64.45 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.802 2.334 . . . . 0.0 112.4 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.01 -8.23 28.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.8 72.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.21 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.96 -38.01 85.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.41 120.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.42 33.63 1.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt 64.48 -82.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.627 0.579 . . . . 0.0 110.629 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.42 27.77 0.11 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.659 179.781 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.615 0.245 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.696 0.284 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.655 0.264 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.766 0.317 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.859 0.361 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.67 0.272 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.635 0.255 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 24' ' ' THR . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 20' ' ' PHE . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.697 ' O ' HG23 ' B' ' 24' ' ' THR . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' PHE . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.717 0.294 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.696 ' O ' HG23 ' C' ' 24' ' ' THR . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.696 HG23 ' O ' ' C' ' 20' ' ' PHE . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.752 0.31 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . 0.452 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.4 ' N ' HG12 ' D' ' 7' ' ' ILE . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.695 ' O ' HG23 ' D' ' 24' ' ' THR . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . 0.695 HG23 ' O ' ' D' ' 20' ' ' PHE . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.806 0.336 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.782 0.325 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . 0.412 HG21 HD13 ' D' ' 7' ' ' ILE . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.417 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.691 0.281 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . 0.439 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . 0.434 ' H ' HG23 ' D' ' 7' ' ' ILE . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.626 0.251 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.65 0.262 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.672 0.273 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.534 0.207 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.739 0.304 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 25' ' ' ILE . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.764 0.316 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . 0.433 ' O ' HD12 ' B' ' 25' ' ' ILE . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.433 HD12 ' O ' ' B' ' 21' ' ' MET . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.827 0.346 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . 0.435 ' O ' HD12 ' C' ' 25' ' ' ILE . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.435 HD12 ' O ' ' C' ' 21' ' ' MET . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.747 0.308 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 25' ' ' ILE . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.434 HD12 ' O ' ' D' ' 21' ' ' MET . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.41 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 121.065 0.46 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.421 ' H ' HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.429 HG23 ' H ' ' C' ' 7' ' ' ILE . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.999 0.428 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . 0.406 ' H ' HG23 ' D' ' 7' ' ' ILE . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -67.35 -41.42 85.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -87.59 124.47 67.62 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.613 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.67 -28.36 31.09 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.867 1.711 . . . . 0.0 112.294 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -13.05 33.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.09 -38.01 81.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.737 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.57 -38.84 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.91 -35.19 69.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.998 0.428 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -66.92 -49.66 64.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.788 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.65 -43.31 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.2 m -60.56 -49.58 76.95 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -59.72 -42.98 94.3 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.273 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.51 -47.73 83.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.89 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.801 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -71.49 -45.83 61.42 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.57 88.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.654 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 mt -72.72 -29.76 63.62 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.284 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -67.16 -48.82 66.85 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.503 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.67 -29.18 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mtt -62.06 -53.29 57.62 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 110.91 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.5 94.74 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.585 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -49.82 76.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.14 -47.83 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.36 -39.68 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.55 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.4 78.98 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.59 -39.16 88.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.78 -37.48 84.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.19 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.445 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -81.58 143.04 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.665 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.38 -43.41 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.467 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.84 100.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.363 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.24 -41.42 85.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -87.59 124.4 67.75 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.633 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.46 -28.55 32.2 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.85 1.7 . . . . 0.0 112.279 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -13.06 33.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -59.91 -38.19 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.655 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.4 -38.9 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.952 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -71.9 -35.13 69.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.71 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.4 t -66.95 -49.79 64.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -62.39 -43.53 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 80.5 m -60.51 -49.34 77.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.664 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -43.01 95.25 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.342 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -58.41 -47.85 82.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.578 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.78 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.48 -28.39 68.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.029 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.6 t -71.65 -45.89 60.64 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.8 89.45 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.574 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.45 -29.89 64.08 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.262 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -67.2 -48.67 67.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.572 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.23 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.521 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.83 -53.51 54.91 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.51 95.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.16 -47.91 71.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.43 -39.6 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.47 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.51 -49.3 80.05 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.82 -39.08 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 71.2 mt -66.8 -37.49 84.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.15 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.67 142.92 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.697 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.2 -43.48 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.417 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.9 100.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.886 -1.055 . . . . 0.0 110.414 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.39 -41.37 85.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.68 124.46 67.47 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.618 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.49 -28.49 32.12 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.882 1.721 . . . . 0.0 112.308 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -13.09 34.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.939 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -59.99 -38.06 81.49 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.731 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.46 -38.95 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.81 -35.35 69.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.758 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.5 t -66.9 -49.62 65.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.819 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.52 -43.41 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.401 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.59 -49.51 77.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.519 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -59.73 -43.08 94.36 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.27 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -58.31 -47.85 82.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.79 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.48 -28.66 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -71.37 -45.99 61.47 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.57 89.07 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.708 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.69 -29.67 63.59 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.246 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -67.17 -49.07 66.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -29.25 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.492 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -62.04 -53.28 57.79 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.49 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.619 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -50.0 75.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.754 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -53.9 -47.93 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.4 -39.48 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.543 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.62 -49.4 78.99 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -66.61 -39.1 88.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.876 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.83 -37.4 84.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 62.15 -84.44 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -81.56 143.12 32.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.662 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.5 -43.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.439 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.74 100.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.366 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -67.23 -41.38 85.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.796 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -87.72 124.46 67.4 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.637 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.54 -28.39 31.89 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.925 1.75 . . . . 0.0 112.28 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -12.79 34.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -60.17 -38.06 82.06 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.68 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.63 -38.7 72.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.2 tp -72.03 -35.03 69.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.807 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -67.14 -49.61 64.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.883 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 90.2 mt -62.55 -43.43 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.394 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.63 -49.36 77.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.94 -42.85 94.93 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.388 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.51 -47.83 82.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.595 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm -61.86 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.42 -28.38 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.044 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -71.76 -45.71 60.76 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.68 88.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 mt -72.44 -30.04 64.23 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.303 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.01 -48.76 67.42 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -29.07 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.446 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtt -62.09 -53.25 58.09 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.64 95.02 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -49.6 76.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.6 p -54.25 -47.83 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.177 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.46 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.601 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.4 -49.38 79.1 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -66.89 -38.83 87.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.0 -37.45 84.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 62.18 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.411 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -81.57 142.89 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.721 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.2 -43.46 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt 57.94 100.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.999 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.387 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -122.11 126.36 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.364 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -92.05 159.84 36.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.59 -49.41 17.41 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.347 2.031 . . . . 0.0 112.195 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -30.71 67.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.326 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.5 -40.65 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.23 -45.47 93.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 tp -71.09 -31.24 67.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.445 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.94 -49.65 67.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.847 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.57 -26.74 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.27 -52.69 37.72 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.155 0.502 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -67.77 -36.88 81.3 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.355 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -57.95 -47.96 81.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.788 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.4 mt -61.72 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -25.82 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -72.82 -42.5 63.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.911 0.386 . . . . 0.0 110.951 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.75 -34.42 64.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.904 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -64.6 -48.25 75.61 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.595 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.17 -28.91 65.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.89 -56.73 17.69 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.142 0.496 . . . . 0.0 110.562 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.2 96.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.42 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -48.69 77.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.4 m -57.58 -43.11 84.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.255 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.9 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.305 0.574 . . . . 0.0 110.433 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.33 -50.52 61.87 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.07 -33.61 76.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.796 0.331 . . . . 0.0 110.249 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -33.4 70.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.39 53.63 12.02 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.966 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -50.68 -27.81 7.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -66.99 172.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.549 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -49.03 138.91 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.593 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.19 126.3 47.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.457 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.02 159.69 37.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -49.29 17.89 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.397 2.065 . . . . 0.0 112.229 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -30.99 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -66.21 -40.96 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.517 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.07 -45.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.14 0.495 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -70.93 -31.3 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.0 t -65.89 -49.85 66.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.715 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.24 -26.95 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.18 -52.61 39.31 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.06 0.457 . . . . 0.0 110.729 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -67.79 -36.99 81.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.322 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.76 -48.14 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.66 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -25.77 68.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -72.78 -42.77 63.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -35.83 77.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.53 -34.14 65.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.8 -48.21 75.25 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.856 0.36 . . . . 0.0 110.618 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.95 -29.41 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.543 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -56.83 16.68 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.104 0.478 . . . . 0.0 110.603 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.23 96.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -48.47 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.665 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.59 -43.28 84.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.213 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.83 -39.97 87.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.312 0.577 . . . . 0.0 110.401 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -50.57 61.23 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -33.66 76.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.39 . . . . 0.0 110.322 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.5 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.34 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.45 53.67 11.93 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.892 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.85 8.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.3 pt -66.9 172.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.98 138.95 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.662 -179.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -122.11 126.32 48.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.22 159.8 36.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -49.48 17.19 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.28 1.987 . . . . 0.0 112.213 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -31.38 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.188 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.03 -40.71 91.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.19 -45.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.3 tp -70.96 -31.71 68.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -65.41 -50.03 67.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.725 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.22 -26.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.51 -52.91 33.44 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.106 0.479 . . . . 0.0 110.58 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -67.44 -37.2 82.63 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.355 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -57.7 -48.1 80.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.662 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.53 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -26.11 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.7 m -72.27 -43.16 64.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.049 0.452 . . . . 0.0 110.831 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.45 -35.78 78.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.753 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.68 -33.71 64.57 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.009 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -65.15 -48.26 74.16 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.638 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.75 -29.53 66.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.611 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -56.74 17.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.05 0.452 . . . . 0.0 110.572 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.19 96.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -48.92 77.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.545 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 95.5 m -57.14 -43.57 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.148 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.64 -39.87 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -50.53 62.13 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.762 0.315 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -33.51 69.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.331 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 52.35 53.77 11.81 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.888 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.75 -27.77 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.19 172.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -48.83 138.9 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.697 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mtm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.03 126.38 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -92.04 159.68 37.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.45 -49.41 17.48 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.357 2.038 . . . . 0.0 112.22 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.05 67.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.271 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -66.28 -40.75 90.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.12 -45.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.097 0.475 . . . . 0.0 110.685 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 tp -70.96 -31.38 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -65.87 -49.69 67.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.744 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.42 -26.69 20.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.996 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.29 -52.58 38.86 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.122 0.487 . . . . 0.0 110.806 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -67.86 -36.92 81.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.346 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -57.86 -48.04 80.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.59 -46.09 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.503 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -25.96 68.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.053 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -72.49 -42.78 64.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 111.008 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.56 77.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.775 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 mt -73.71 -34.18 64.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -64.76 -48.32 74.98 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.689 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.93 -29.26 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.502 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -56.87 16.17 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.135 0.493 . . . . 0.0 110.613 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.15 96.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.492 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -48.75 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -57.42 -43.27 83.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.219 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.85 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.223 0.535 . . . . 0.0 110.422 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.28 -50.59 61.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -33.6 76.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.727 0.299 . . . . 0.0 110.277 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -33.42 70.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.389 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 52.35 53.69 11.95 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.871 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -50.67 -27.83 7.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -67.0 172.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -49.1 138.82 11.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.59 -179.634 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.8 135.3 50.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -101.48 115.92 64.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.49 -26.71 81.28 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 122.15 1.9 . . . . 0.0 112.216 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.74 -38.77 91.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.41 -40.64 97.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 111.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -65.09 -37.58 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.863 -178.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.12 -33.38 65.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.185 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -70.49 -45.33 65.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.75 -48.44 88.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.178 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.47 -51.57 66.94 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.2 t -55.28 -45.46 76.2 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.432 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.92 -44.47 91.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.1 mt -59.65 -42.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -58.1 9.03 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.681 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 -40.72 22.51 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.2 94.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.419 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.39 -23.32 62.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -68.03 -52.52 34.51 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.809 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 24' ' ' THR . 2.0 m-85 -69.32 -27.48 65.41 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.963 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.8 mtt -61.44 -50.75 71.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.042 0.449 . . . . 0.0 110.445 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.92 87.3 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.54 -46.28 90.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.019 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 20' ' ' PHE . 79.1 p -58.57 -41.55 85.95 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.47 -40.62 86.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.206 0.527 . . . . 0.0 110.391 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.68 -47.83 85.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -68.2 -35.52 78.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.907 0.384 . . . . 0.0 110.531 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.91 -11.53 60.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.032 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.09 -178.88 0.22 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.27 168.35 20.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.3 mm -108.0 129.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.387 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.74 137.52 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttp85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.604 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -109.76 135.5 50.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -101.55 115.88 64.35 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.38 -26.68 81.77 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -62.82 -38.77 92.05 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.357 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.52 -40.28 96.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.814 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -37.68 80.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.706 -178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.99 -33.62 65.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.38 -45.38 66.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.418 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 mm -60.77 -48.35 89.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.48 -51.87 65.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.0 t -54.66 -45.92 73.92 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.319 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.78 -44.4 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.69 -42.73 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.078 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.21 -58.39 7.94 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.506 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -47.61 -40.79 20.38 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.948 0.404 . . . . 0.0 110.358 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.13 94.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.35 -23.33 62.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -67.98 -52.73 32.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.2 0.524 . . . . 0.0 110.826 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.697 ' O ' HG23 ' B' ' 24' ' ' THR . 2.0 m-85 -69.12 -27.27 65.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.988 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.44 -50.78 71.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.065 0.459 . . . . 0.0 110.59 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.77 87.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.167 -0.613 . . . . 0.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.55 -46.5 89.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.945 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' PHE . 75.8 p -58.44 -41.46 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.7 -40.74 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.279 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.01 83.8 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -67.95 -35.51 78.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.584 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.05 -11.32 60.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.99 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.26 168.32 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.645 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 mm -107.99 129.71 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.363 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.85 137.49 58.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.544 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.85 135.32 50.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -101.37 115.81 64.56 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.41 -26.57 81.51 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.13 1.887 . . . . 0.0 112.296 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.96 -38.24 90.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.522 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.9 -40.5 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.787 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.754 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.33 -32.87 64.83 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.185 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -71.13 -45.1 64.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.539 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 mm -60.91 -48.38 89.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.306 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 47.5 t -62.54 -51.53 67.03 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.37 -45.0 76.55 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.615 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.42 -44.12 92.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.569 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 76.3 mt -59.98 -42.58 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.117 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.94 9.51 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.761 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 70.8 m -48.21 -40.04 23.08 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.65 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.07 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.407 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.08 -23.98 63.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -67.54 -52.43 38.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.065 0.459 . . . . 0.0 110.808 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.696 ' O ' HG23 ' C' ' 24' ' ' THR . 2.0 m-85 -69.52 -27.01 64.81 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.156 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 11.6 mtt -61.53 -51.04 70.23 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.222 0.534 . . . . 0.0 110.548 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.68 86.28 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.587 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.01 -45.53 94.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.696 HG23 ' O ' ' C' ' 20' ' ' PHE . 80.7 p -59.23 -41.3 88.39 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.7 -40.79 86.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.292 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.26 -47.89 84.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -68.54 -34.72 76.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 60.6 mt -73.76 -11.26 60.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.977 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 12.1 t30 70.95 -178.8 0.22 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.861 0.363 . . . . 0.0 110.787 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.3 168.4 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.552 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.12 129.46 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.311 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.72 137.56 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.563 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.82 135.32 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -101.37 115.76 64.62 Favored Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -61.36 -26.63 81.8 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.147 1.898 . . . . 0.0 112.263 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -62.62 -38.92 92.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.448 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.54 -40.49 97.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.794 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . 0.452 HG23 ' H ' ' D' ' 7' ' ' ILE . 0.1 OUTLIER -65.1 -37.73 80.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.784 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.4 ' N ' HG12 ' D' ' 7' ' ' ILE . 62.2 tp -72.95 -33.38 65.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.131 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.1 t -70.46 -45.55 65.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.379 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.65 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.237 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 47.2 t -62.49 -51.61 66.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -55.08 -45.79 75.41 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.386 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.63 -44.62 90.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.68 -42.3 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.221 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -56.56 15.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.644 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -48.89 -40.71 30.86 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.058 0.456 . . . . 0.0 110.29 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.48 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.47 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.43 -23.25 62.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -68.12 -52.49 34.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.695 ' O ' HG23 ' D' ' 24' ' ' THR . 2.0 m-85 -69.33 -27.46 65.38 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.994 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 11.7 mtt -61.42 -50.79 71.4 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.027 0.441 . . . . 0.0 110.416 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.84 86.88 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.698 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -60.62 -46.31 90.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . 0.695 HG23 ' O ' ' D' ' 20' ' ' PHE . 75.6 p -58.44 -41.69 85.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.6 mt -66.51 -40.61 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.329 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.59 -47.86 85.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -68.25 -35.56 78.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.047 0.451 . . . . 0.0 110.593 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.59 -11.97 60.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.093 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t30 71.48 -178.93 0.22 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.42 168.39 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.597 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -108.08 129.57 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.333 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.73 137.47 58.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.385 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.508 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.68 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.3 71.72 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.946 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 7' ' ' ILE . 40.9 Cg_exo -56.03 -32.73 87.29 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.676 2.251 . . . . 0.0 112.185 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -29.61 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.388 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.9 -46.13 83.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 4' ' ' PRO . 10.1 pt -69.25 -34.92 65.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.422 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD23 ' HE1' ' D' ' 5' ' ' PHE . 0.9 OUTLIER -73.34 -31.69 64.13 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.084 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -75.28 -39.36 59.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.565 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -67.26 -40.67 85.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.8 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.9 t -66.41 -52.44 46.54 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.98 -38.77 87.15 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.672 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.46 -43.97 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.546 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.71 -58.34 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -49.34 -39.1 30.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.564 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.49 74.57 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -23.25 65.33 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.82 -66.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.008 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -29.33 57.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.328 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.39 -62.93 1.47 Allowed 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.084 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.35 97.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -49.44 77.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.126 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -55.05 -45.93 75.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.068 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.24 -40.81 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.29 -49.76 75.09 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -60.88 -40.62 93.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.763 0.316 . . . . 0.0 110.541 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -59.98 -46.95 87.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.07 -37.51 78.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.25 -42.74 99.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.25 127.67 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.63 -173.48 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.69 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.44 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.67 -78.15 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.22 118.29 71.7 Favored Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.966 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.428 ' O ' HG12 ' B' ' 7' ' ' ILE . 39.2 Cg_exo -56.01 -32.74 87.2 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.5 2.133 . . . . 0.0 112.272 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.538 ' HE1' HD23 ' C' ' 8' ' ' LEU . 0.0 OUTLIER -75.55 -29.45 59.4 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.461 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.1 -46.3 81.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 4' ' ' PRO . 10.1 pt -69.01 -35.09 67.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.476 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -31.35 64.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.1 p -75.79 -39.15 57.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -67.34 -40.81 85.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 33.8 t -66.35 -52.25 48.9 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.22 -38.46 86.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.698 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.56 -45.0 95.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.49 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.59 -58.47 7.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 52.3 m -49.49 -38.59 30.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.774 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -49.19 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.7 -23.5 65.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.51 -67.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.063 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -29.03 57.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.497 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.52 -63.17 1.36 Allowed 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.975 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.43 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.039 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -48.91 79.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.281 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -55.57 -45.67 77.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.131 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.37 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.05 -49.8 74.67 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -61.1 -40.16 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.733 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 tp -60.27 -47.02 87.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.448 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.09 -37.4 78.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.627 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -62.33 -42.76 99.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.746 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.19 127.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.64 -173.54 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.664 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.473 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 65.6 -78.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.363 0.414 . . . . 0.0 110.751 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.21 118.27 71.62 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.947 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.427 ' O ' HG12 ' C' ' 7' ' ' ILE . 39.4 Cg_exo -56.0 -32.78 87.29 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.497 2.131 . . . . 0.0 112.298 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -29.51 59.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.318 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.74 -46.65 81.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.263 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.427 HG12 ' O ' ' C' ' 4' ' ' PRO . 9.9 pt -68.67 -35.21 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.49 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.538 HD23 ' HE1' ' B' ' 5' ' ' PHE . 0.9 OUTLIER -73.17 -31.21 64.1 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.152 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -75.78 -39.5 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.575 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.13 -41.06 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.65 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 32.6 t -66.03 -52.32 50.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -61.12 -38.72 87.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.619 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.53 -45.17 94.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.33 -43.92 97.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.614 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.72 -58.14 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.3 m -49.71 -38.93 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.47 74.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -67.46 -23.53 65.52 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.755 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -68.53 -66.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.235 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.48 -29.3 58.51 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.372 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.27 -63.12 1.39 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.3 96.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.963 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -48.92 79.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.209 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -55.58 -45.79 77.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.979 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.35 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.23 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -49.67 76.04 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -61.16 -40.22 93.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.879 0.371 . . . . 0.0 110.641 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.39 -46.9 88.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.528 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.99 -37.45 78.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.653 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -62.36 -42.87 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.07 127.76 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.766 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -98.61 -173.45 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.639 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.532 179.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 65.62 -78.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -81.26 118.19 71.26 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.892 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.418 ' O ' HG12 ' D' ' 7' ' ' ILE . 40.0 Cg_exo -55.82 -32.88 86.49 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.595 2.196 . . . . 0.0 112.175 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.444 ' HE1' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -75.57 -29.65 59.4 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.391 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.75 -46.52 81.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.366 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . 0.418 HG12 ' O ' ' D' ' 4' ' ' PRO . 10.0 pt -68.9 -35.0 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.411 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.29 -31.39 64.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -75.64 -39.41 57.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.546 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.18 -40.87 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.744 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 33.2 t -66.22 -52.31 49.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -61.23 -38.56 87.08 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.64 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.48 -44.99 95.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.478 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.44 -43.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.603 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.44 -56.64 16.21 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.706 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 m -50.77 -38.78 49.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.498 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -49.33 74.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.53 -23.2 65.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -70.04 -63.32 1.1 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -28.88 64.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.094 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 1.9 mmt -61.72 -62.22 1.95 Allowed 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.101 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.57 97.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -49.14 78.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.185 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -55.31 -45.94 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.107 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -40.84 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.289 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.15 -49.76 75.08 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -61.21 -40.26 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.756 0.313 . . . . 0.0 110.598 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.2 -46.97 87.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.97 -37.57 78.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.63 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -62.2 -42.88 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -130.12 127.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.751 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -98.66 -173.57 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -70.47 -31.45 68.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.4 123.73 66.16 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.216 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -66.67 -23.1 49.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.216 1.944 . . . . 0.0 112.285 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -34.46 78.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.78 -41.35 97.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.953 0.406 . . . . 0.0 111.142 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -70.3 -32.61 51.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.404 -178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.09 -34.79 50.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.8 t -70.11 -45.21 67.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.12 -34.03 64.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -70.27 -58.04 4.21 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.847 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.35 -41.8 90.08 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.595 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -57.35 -48.61 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.638 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.78 -45.84 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.56 -29.38 69.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.88 -47.73 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.67 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.1 97.63 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.95 -46.33 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.836 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -54.77 -47.08 74.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.885 0.374 . . . . 0.0 110.155 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -36.09 82.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.65 -47.86 84.35 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.94 96.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -66.11 -48.31 71.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.197 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -55.5 21.87 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.8 tp -63.43 -31.86 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.168 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.14 -50.48 67.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -65.85 -34.24 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.958 0.408 . . . . 0.0 110.751 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.4 mt -72.37 -27.08 62.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.44 114.8 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.514 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.53 39.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.17 141.29 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.81 159.02 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.587 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -70.28 -31.45 68.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.697 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -89.46 123.75 66.02 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.346 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.56 -23.25 50.09 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.201 1.934 . . . . 0.0 112.261 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -34.44 78.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.887 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -63.82 -41.1 97.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 111.239 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -32.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.473 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 tp -78.41 -34.94 47.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.87 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.2 t -69.96 -45.11 68.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.548 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 tp -68.38 -33.6 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.477 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.59 -58.28 3.84 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.695 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -59.12 -41.92 89.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.514 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.752 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -59.79 -45.86 94.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.23 -29.85 70.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.9 t -69.48 -48.0 62.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.601 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.17 97.1 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.075 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.78 -46.65 81.17 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.828 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.33 -47.5 72.43 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.158 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -36.11 82.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.46 -48.02 83.59 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.22 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.447 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 0.0 OUTLIER -65.8 -48.65 71.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.079 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.19 -55.75 19.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.35 -31.7 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.44 67.73 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -65.69 -34.48 78.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.089 0.471 . . . . 0.0 110.643 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.8 mt -72.18 -26.9 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.78 114.91 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.4 122.43 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.1 141.3 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.628 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.85 158.98 37.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.61 179.764 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -70.43 -31.44 68.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.39 123.69 66.28 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.47 -23.27 50.78 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.161 1.907 . . . . 0.0 112.33 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -34.59 78.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.822 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -63.72 -41.14 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.167 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -32.21 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.522 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.8 tp -78.35 -35.08 47.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.899 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -69.72 -45.35 68.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.5 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.18 -33.82 62.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.52 -58.1 4.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.707 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.4 t -59.25 -41.98 90.04 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.536 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.14 -48.7 78.04 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.722 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.74 -45.73 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -29.81 70.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.47 -48.08 61.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.551 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.06 97.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.93 -46.59 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -54.41 -47.52 72.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.121 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.96 -36.08 82.36 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.302 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.42 -48.05 83.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.23 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . 0.439 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 0.0 OUTLIER -65.72 -48.79 70.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.16 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -55.62 20.14 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.299 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.42 -50.31 69.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.7 -34.64 78.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -71.96 -27.16 62.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.897 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.58 114.77 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -122.39 122.52 39.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.409 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 20.0 pt -52.13 141.34 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.619 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.89 158.91 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.601 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.621 179.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -70.39 -31.51 68.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.68 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -89.42 123.71 66.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.59 -23.09 50.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.185 1.923 . . . . 0.0 112.295 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -34.18 77.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.827 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.13 -40.82 96.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . 0.434 ' H ' HG23 ' D' ' 7' ' ' ILE . 0.1 OUTLIER -70.92 -32.17 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 -178.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.27 -35.03 48.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 38.6 t -69.99 -44.94 68.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.583 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 tp -68.65 -33.31 59.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.81 -58.36 3.7 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.616 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -59.03 -41.81 88.7 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.552 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.32 -48.57 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.706 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mm -59.75 -46.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.18 -29.89 70.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t -69.42 -47.85 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.656 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.11 97.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.85 -46.82 80.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.767 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -54.21 -47.49 72.07 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.028 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.89 81.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.373 179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 17.3 tpt -60.7 -47.92 84.1 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.927 0.394 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.09 96.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.466 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 0.0 OUTLIER -65.76 -48.58 71.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -55.68 20.13 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.3 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tp -63.29 -31.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.249 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.29 -50.5 67.06 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -65.59 -34.32 77.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.715 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.31 -26.96 62.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.901 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.7 114.9 2.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.455 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -122.41 122.45 39.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -52.15 141.36 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.707 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -156.86 158.96 37.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.565 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.09 64.18 1.92 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.718 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -79.52 148.06 69.12 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.05 -21.37 68.21 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.518 2.145 . . . . 0.0 112.226 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -36.92 70.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.63 -42.32 96.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.98 -50.3 77.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.57 -36.37 84.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -65.37 -51.44 60.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.245 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -70.78 -30.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.0 m -69.27 -53.96 17.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.031 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.58 -46.25 89.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.14 -45.32 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.187 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.34 -27.42 67.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.574 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -75.15 -41.97 57.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 110.781 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.74 86.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.638 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.3 -31.8 67.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.12 -48.11 74.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -28.31 65.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.055 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -54.24 45.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.615 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.43 91.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.13 75.46 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.094 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.93 -50.29 69.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.711 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.68 -33.86 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.251 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.33 68.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.53 -34.6 78.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.703 0.287 . . . . 0.0 110.572 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.58 -34.56 75.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 68.16 170.95 0.28 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.652 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.07 -11.11 26.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.815 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -51.42 -27.42 7.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.25 128.53 36.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.648 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.194 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.16 64.17 1.92 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.623 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.55 148.11 69.1 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.089 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.1 -21.4 67.97 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' C' ' 4' ' ' PRO . 0.0 OUTLIER -57.1 -36.65 70.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.17 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.85 -41.98 96.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.13 -50.54 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.34 -36.26 83.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.789 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -65.5 -51.25 61.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.299 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.9 tt -71.17 -29.43 36.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.215 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 41.6 m -69.68 -54.19 15.05 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.825 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -62.73 -39.89 95.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.726 0.298 . . . . 0.0 110.639 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -59.81 -45.87 90.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.531 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.3 -45.34 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 111.336 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.33 -27.59 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.48 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -74.84 -41.85 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.004 0.431 . . . . 0.0 110.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -40.35 85.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.605 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.82 -31.23 66.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.379 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.27 -48.4 73.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 111.047 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -28.22 65.73 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.035 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -54.07 46.66 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.653 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.72 92.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -49.2 75.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.159 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.82 -50.43 68.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.673 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.66 -33.88 66.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 119.854 -0.738 . . . . 0.0 110.308 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.2 -50.52 66.92 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -65.37 -34.66 78.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.707 0.289 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.8 OUTLIER -61.54 -34.56 75.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.859 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 55.9 t30 68.22 170.86 0.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.647 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.27 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.815 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.454 HG22 ' O ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -51.33 -27.22 6.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 110.474 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.43 128.48 36.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.733 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.324 179.664 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 54.0 64.09 1.95 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -79.35 147.97 69.58 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.17 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.426 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 30.9 Cg_endo -64.0 -21.48 68.43 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.533 2.155 . . . . 0.0 112.332 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -37.13 70.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.965 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.41 -42.64 96.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.61 -50.4 78.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.261 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.47 -36.58 84.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.01 -51.4 61.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.374 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -70.83 -30.28 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.028 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.1 m -69.21 -54.08 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.018 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -62.63 -39.98 95.53 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.664 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.66 -46.42 89.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.405 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.92 -45.28 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.803 0.335 . . . . 0.0 111.292 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.28 -27.55 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -75.0 -42.27 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.771 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.98 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.09 -31.8 68.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.333 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.03 -48.15 74.87 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.809 0.337 . . . . 0.0 111.266 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -28.65 66.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.015 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -54.14 46.52 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.935 0.397 . . . . 0.0 110.621 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.49 91.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -49.34 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.095 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 2.2 p -54.51 -50.82 66.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.692 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 tt -65.31 -33.89 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.962 -0.695 . . . . 0.0 110.349 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.39 -50.31 69.16 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -65.55 -34.81 79.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.686 0.279 . . . . 0.0 110.616 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.45 ' O ' HG22 ' C' ' 31' ' ' ILE . 0.8 OUTLIER -61.38 -34.56 75.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.14 170.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.95 -11.26 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.79 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.45 HG22 ' O ' ' C' ' 28' ' ' LEU . 0.6 OUTLIER -51.24 -27.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.926 0.393 . . . . 0.0 110.431 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.45 128.5 36.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.688 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.335 179.605 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 54.03 64.04 1.97 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.756 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.57 148.15 69.11 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.101 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -21.63 68.5 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.56 2.174 . . . . 0.0 112.242 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -37.0 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.168 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -60.79 -42.04 96.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.08 -50.88 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.111 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -36.57 84.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -65.02 -51.41 61.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.297 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 tt -71.11 -29.24 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 m -69.89 -54.5 13.15 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.832 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -62.2 -39.98 94.53 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.738 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.67 -46.06 90.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.517 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.25 -45.35 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.206 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.14 -27.97 67.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.1 p -74.38 -42.25 59.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.781 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.67 87.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.92 -30.87 65.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.452 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.5 -48.61 71.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.727 0.299 . . . . 0.0 110.919 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -28.28 66.0 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.052 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -54.15 45.92 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.693 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.16 90.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.575 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -54.64 -50.5 68.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.561 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -65.5 -33.84 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.367 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.52 -50.27 69.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -65.42 -34.82 79.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.442 ' O ' HG22 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -61.3 -34.82 75.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.802 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.3 t30 68.24 170.84 0.28 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.88 -11.18 25.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.442 HG22 ' O ' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -51.36 -27.51 6.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.75 0.31 . . . . 0.0 110.366 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.24 128.67 36.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.624 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.347 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 mmm . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.26 5.27 21.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.296 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -92.69 127.6 47.43 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.74 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.25 -26.32 64.35 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.603 2.202 . . . . 0.0 112.52 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.45 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.31 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.4 -37.96 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.28 -51.37 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.691 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.1 -34.91 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.692 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -67.78 -48.12 67.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.751 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.66 -39.38 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.46 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.86 -49.72 75.11 Favored 'General case' 0 C--O 1.231 0.129 0 O-C-N 123.446 0.466 . . . . 0.0 110.76 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.9 p -61.81 -41.25 97.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.512 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -56.75 -52.06 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.57 -24.34 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.612 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.35 -64.45 0.92 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.161 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.7 p -52.7 -32.11 41.03 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.194 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -49.55 72.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.195 0.522 . . . . 0.0 110.586 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -70.07 -26.14 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.49 -50.41 65.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.39 -27.45 64.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.05 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.57 -56.2 22.56 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.383 0.611 . . . . 0.0 110.662 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.78 94.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.946 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.59 87.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.372 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.4 m -55.78 -45.3 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.35 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.274 0.559 . . . . 0.0 110.049 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.8 -47.62 90.33 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -39.1 92.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.851 0.358 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.66 -21.74 55.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.705 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -39.52 69.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.68 -39.52 88.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.44 98.26 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.68 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.27 -37.5 7.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.578 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.584 -179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -109.9 5.42 22.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.451 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -92.81 127.67 46.89 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.789 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.27 -26.37 64.2 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.642 2.228 . . . . 0.0 112.468 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -32.84 73.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.394 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.85 -37.98 89.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.29 -51.35 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.2 -34.58 78.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -68.1 -47.95 66.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.87 -39.24 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.538 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.94 -49.72 75.02 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.92 0.39 . . . . 0.0 110.931 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -61.81 -40.94 97.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.606 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.16 -51.78 67.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.74 -24.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.95 -64.7 0.85 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 81.0 p -52.54 -31.87 37.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -49.17 73.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.22 0.533 . . . . 0.0 110.631 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.24 -26.36 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -65.36 -50.34 65.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.54 -27.27 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.108 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 18.9 mtt -61.87 -55.99 24.0 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.309 0.576 . . . . 0.0 110.672 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.57 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.019 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -46.39 88.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.423 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 64.5 m -56.0 -45.01 79.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.027 0.441 . . . . 0.0 109.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.59 -39.07 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.92 -47.56 90.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -38.73 90.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.727 0.299 . . . . 0.0 110.588 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.8 mt -77.12 -21.56 54.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.702 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -39.36 69.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.79 -39.63 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.697 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.49 98.2 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.18 -37.29 7.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.646 -179.82 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.15 5.41 21.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.373 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -92.64 127.72 47.07 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.743 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.36 -26.29 63.55 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.541 2.16 . . . . 0.0 112.545 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.342 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.64 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.14 -51.15 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.741 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp -65.36 -34.66 78.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 98.3 p -68.15 -48.02 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.72 -39.52 85.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -61.76 -49.65 75.56 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 123.469 0.48 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.0 p -62.04 -40.95 97.49 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.415 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.23 -51.89 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 48.4 pt -68.47 -24.85 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.614 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.92 -64.01 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.723 0.297 . . . . 0.0 110.298 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.2 p -53.15 -32.01 45.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.212 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.29 72.82 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 110.585 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.0 -26.54 64.12 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -65.32 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.51 -27.46 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.085 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mtt -61.82 -56.16 22.39 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.268 0.556 . . . . 0.0 110.644 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.58 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.003 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.17 89.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 68.9 m -56.0 -45.18 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.082 0.468 . . . . 0.0 109.872 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.47 -39.08 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.042 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.9 -47.55 90.69 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -38.85 91.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -77.11 -21.79 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.559 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -39.32 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -60.94 -39.86 91.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.657 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.22 98.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.159 0.504 . . . . 0.0 110.732 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.24 -37.29 7.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.572 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 26.8 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -110.49 5.53 21.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.363 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -92.81 127.51 47.53 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.712 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.14 -26.34 65.23 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.527 2.151 . . . . 0.0 112.588 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -32.89 73.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -63.73 -38.11 89.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.0 -51.31 68.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.29 -34.57 78.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 94.5 p -68.12 -48.02 66.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.74 -39.53 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.538 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.78 -49.56 75.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.019 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.2 p -62.01 -41.0 97.59 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.475 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.15 -51.86 67.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 pt -68.54 -24.58 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.35 -60.55 2.18 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.398 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -55.49 -31.62 62.17 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.181 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -49.39 72.81 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -70.14 -26.56 64.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -65.19 -50.34 66.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.033 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.52 -27.5 64.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.96 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.6 mtt -61.71 -56.1 23.28 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.29 0.567 . . . . 0.0 110.64 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.54 93.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -46.27 89.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.298 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 66.5 m -56.06 -45.12 79.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.5 -39.0 84.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.056 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.54 90.72 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -38.85 91.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.732 0.301 . . . . 0.0 110.54 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.94 -21.87 54.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.614 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.75 -39.59 69.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -60.61 -39.83 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 tt -140.34 98.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.652 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -104.23 -37.65 7.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.513 -179.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -120.06 132.65 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.49 147.12 32.5 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.73 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.05 -18.93 40.1 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.84 2.36 . . . . 0.0 112.422 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -19.2 18.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.64 -30.45 70.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.711 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.08 -44.52 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.54 -30.19 65.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -70.63 -45.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.1 -28.71 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.8 t -69.02 -53.78 18.69 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.758 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -67.26 -37.0 82.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -59.41 -47.65 84.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.651 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.74 -59.1 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -47.84 -37.75 14.56 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.283 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.06 89.44 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.661 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 mt -69.29 -25.12 64.09 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.368 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -67.82 -48.16 67.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.03 -29.08 64.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.547 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 25' ' ' ILE . 45.3 tpp -61.66 -56.2 22.34 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.228 0.537 . . . . 0.0 110.451 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.44 92.48 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -48.02 83.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.9 m -54.52 -48.19 72.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.265 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 21' ' ' MET . 1.0 OUTLIER -64.95 -37.54 80.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.886 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -49.07 81.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -62.16 -37.42 85.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.31 -14.59 60.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.7 34.76 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -63.27 -38.65 92.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.86 -26.74 11.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -92.31 -1.62 56.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.46 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -119.87 133.21 55.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.465 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -96.03 147.23 32.65 Favored Pre-proline 0 C--O 1.236 0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -69.23 -19.12 39.06 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.655 2.237 . . . . 0.0 112.431 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -19.61 18.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -67.29 -30.25 70.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.713 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.19 -45.08 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.025 0.44 . . . . 0.0 110.618 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.72 -30.4 66.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -70.47 -45.75 65.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.149 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.82 -28.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.6 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.19 -53.48 19.81 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.73 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.8 m -67.35 -37.11 82.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -59.24 -47.89 83.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.06 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.34 -59.54 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.2 t -47.42 -38.2 12.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.206 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.5 91.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.735 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.67 -25.03 63.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.435 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -68.04 -47.7 67.69 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.5 65.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.473 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . 0.433 ' O ' HD12 ' B' ' 25' ' ' ILE . 44.8 tpp -61.49 -55.67 28.56 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 121.137 0.494 . . . . 0.0 110.54 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.41 93.65 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -48.16 82.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.674 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -54.39 -48.48 71.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.153 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.433 HD12 ' O ' ' B' ' 21' ' ' MET . 1.0 OUTLIER -64.57 -37.84 81.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.952 179.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.99 -49.22 80.98 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -61.95 -37.76 85.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.93 -14.53 60.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.6 34.53 24.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -62.86 -39.0 93.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.641 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.53 -27.06 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -91.97 -1.16 57.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -120.29 132.61 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.38 146.9 32.13 Favored Pre-proline 0 C--O 1.236 0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.8 -19.11 41.36 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.827 2.351 . . . . 0.0 112.529 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -19.54 18.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.429 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.33 -30.0 69.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.711 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.53 -45.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.54 -30.57 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -70.28 -46.02 65.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 tt -73.72 -28.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.33 -53.89 17.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.715 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -67.09 -37.58 84.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.514 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.64 -48.05 82.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.611 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.02 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.935 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.27 -59.34 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.568 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.0 t -47.53 -38.3 13.84 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.166 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.67 92.27 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -69.72 -24.77 63.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.419 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -68.49 -47.59 66.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.62 65.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.409 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . 0.435 ' O ' HD12 ' C' ' 25' ' ' ILE . 45.5 tpp -61.21 -56.19 23.48 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.58 93.27 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -48.53 81.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.537 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.8 m -54.25 -48.43 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.204 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.435 HD12 ' O ' ' C' ' 21' ' ' MET . 1.0 OUTLIER -64.45 -38.08 81.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.888 179.028 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.84 84.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -62.14 -38.04 87.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.72 -14.32 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 56.39 34.83 24.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -63.09 -38.79 92.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.01 -26.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -92.33 -0.87 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -121.13 132.17 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.501 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -95.11 147.05 32.4 Favored Pre-proline 0 C--O 1.236 0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.07 -18.97 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.803 2.336 . . . . 0.0 112.422 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -19.43 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.45 -30.12 69.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.811 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 82.5 mt -66.44 -44.86 90.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.08 0.467 . . . . 0.0 110.64 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.0 -30.17 66.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.947 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -70.67 -45.48 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.184 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 tt -74.19 -28.43 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.29 -53.89 17.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.791 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -67.21 -36.98 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.559 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -59.15 -47.79 83.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.645 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.47 -45.71 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.53 -57.73 10.94 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -48.83 -37.51 19.59 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.119 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.4 -44.39 91.42 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.63 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.9 -25.35 63.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.442 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -67.47 -47.98 68.52 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -29.26 64.87 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.423 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 25' ' ' ILE . 45.1 tpp -61.57 -56.0 24.74 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.117 0.484 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.34 92.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.398 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 59.8 m -54.41 -48.02 72.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.285 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.434 HD12 ' O ' ' D' ' 21' ' ' MET . 1.0 OUTLIER -65.18 -37.74 80.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.892 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.17 -48.91 83.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -62.18 -37.51 85.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.435 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.24 -14.37 60.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.817 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.44 34.9 25.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -63.32 -38.52 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 tt -81.08 -26.69 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -92.54 -0.86 57.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 58.44 71.69 0.57 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.339 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 7' ' ' ILE . 15.2 mm-40 -69.26 156.89 90.71 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.786 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.21 -43.02 56.31 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.681 2.254 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -32.64 73.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.956 0.408 . . . . 0.0 110.812 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.45 -46.08 90.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 0.0 111.002 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -71.56 -29.11 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.434 -178.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.52 -35.64 73.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.039 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -77.36 -34.56 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.792 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.04 -44.49 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 51.6 t -66.67 -53.48 33.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.704 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -58.63 -40.59 83.8 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.452 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.72 -47.31 82.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.19 -43.5 89.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.309 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.0 9.44 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.79 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.4 p -47.69 -41.83 23.47 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.06 -48.27 82.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.415 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.85 -19.28 63.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.72 -60.1 2.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.36 -26.62 66.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.22 -51.31 69.52 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.184 0.516 . . . . 0.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.49 -37.98 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.689 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -60.95 -44.6 97.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.42 -44.56 84.71 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.202 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.08 -39.45 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.021 0.438 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.44 -47.3 91.81 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -62.11 -38.64 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.652 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -79.66 -10.47 59.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 59.72 38.1 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.789 0.328 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.12 18.54 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 32' ' ' LYS . 60.3 mt 60.57 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 120.935 0.397 . . . . 0.0 110.419 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER 65.43 176.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.739 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.32 71.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.337 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.417 ' O ' HG23 ' B' ' 7' ' ' ILE . 15.1 mm-40 -69.35 156.96 90.61 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.32 -42.84 58.03 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.579 2.186 . . . . 0.0 112.245 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -32.75 73.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -62.41 -45.75 91.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.421 ' H ' HG23 ' B' ' 7' ' ' ILE . 0.4 OUTLIER -72.1 -28.26 29.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.538 -179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -36.3 72.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.827 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -76.64 -34.87 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.715 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.95 -44.44 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.706 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 51.2 t -66.57 -53.73 31.37 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.804 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.2 -41.14 83.32 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.257 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -57.35 -47.48 81.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.48 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.9 -43.77 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.183 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.88 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.79 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 91.2 p -47.25 -42.25 20.12 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 110.483 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.28 82.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.308 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.88 -19.09 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.96 -60.03 2.65 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -67.25 -26.85 66.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.6 ttt -60.9 -51.57 68.72 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.221 0.534 . . . . 0.0 110.617 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.03 85.8 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.644 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -60.65 -45.23 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 98.1 m -56.87 -44.8 82.58 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.145 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.86 -39.56 83.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -47.56 90.51 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.67 -39.17 90.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.15 -10.49 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.877 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t30 59.75 38.0 21.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.633 0.254 . . . . 0.0 110.558 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 60.3 18.46 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.468 HG22 ' N ' ' B' ' 32' ' ' LYS . 60.0 mt 60.53 158.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.987 0.423 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.468 ' N ' HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER 65.4 176.09 0.21 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.572 -179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 58.59 71.73 0.57 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.41 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.408 ' O ' HG23 ' C' ' 7' ' ' ILE . 15.1 mm-40 -69.39 156.96 90.64 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.24 -42.89 57.31 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.66 2.24 . . . . 0.0 112.15 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -32.76 73.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.821 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -62.46 -45.82 91.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.209 0.528 . . . . 0.0 111.015 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.429 HG23 ' H ' ' C' ' 7' ' ' ILE . 0.4 OUTLIER -71.9 -28.59 30.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.486 -178.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -35.95 72.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.931 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 96.6 p -76.93 -34.71 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.91 -44.55 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.51 -53.63 32.85 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.867 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -58.38 -41.03 83.9 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.332 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.3 -47.53 81.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.78 -43.7 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.309 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.13 -58.05 9.24 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.808 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -47.44 -42.26 22.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.986 0.422 . . . . 0.0 110.45 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.32 82.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.338 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.72 -19.27 63.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -68.89 -59.79 2.82 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.59 -26.78 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.336 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.13 -51.35 69.45 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.171 0.51 . . . . 0.0 110.525 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.15 85.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.789 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.52 -45.24 94.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -56.95 -44.67 82.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.252 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.05 -39.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.5 -47.26 92.03 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -61.93 -39.17 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 110.639 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 49.9 mt -79.13 -10.61 59.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.871 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 59.87 38.12 21.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.23 18.59 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.464 HG22 ' N ' ' C' ' 32' ' ' LYS . 60.0 mt 60.41 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.029 0.442 . . . . 0.0 110.379 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.464 ' N ' HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER 65.3 176.23 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.634 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.559 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 58.74 71.78 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.407 ' O ' HG23 ' D' ' 7' ' ' ILE . 14.9 mm-40 -69.36 157.0 90.54 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.34 -42.81 58.31 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.613 2.209 . . . . 0.0 112.188 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -32.67 73.47 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.677 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -62.53 -45.82 91.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . 0.407 HG23 ' O ' ' D' ' 3' ' ' GLU . 0.4 OUTLIER -71.99 -28.43 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.45 -179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -36.05 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 93.4 p -76.78 -34.61 57.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -65.09 -44.44 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -66.69 -53.69 31.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.758 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 34.2 t -58.19 -41.08 83.17 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.369 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.29 -47.48 81.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.03 -43.36 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.329 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.97 -56.47 16.79 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -48.67 -42.03 33.33 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.15 83.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.393 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.68 -19.73 63.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.58 -59.75 2.91 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.141 0.496 . . . . 0.0 110.728 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.7 -26.76 66.33 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.322 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.09 -51.41 69.27 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.512 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.34 86.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -60.54 -45.22 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.6 m -56.86 -44.72 82.47 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.175 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.08 -39.42 83.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.54 -47.37 91.48 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -61.73 -39.13 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.655 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.93 -11.49 60.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.795 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 50.7 t30 60.45 38.17 19.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.768 0.318 . . . . 0.0 110.443 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 60.04 18.6 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.968 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.47 HG22 ' N ' ' D' ' 32' ' ' LYS . 60.0 mt 60.36 158.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.946 0.403 . . . . 0.0 110.468 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . 0.47 ' N ' HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER 65.35 176.27 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.774 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.507 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -80.59 130.65 35.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.99 115.91 64.01 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.06 -39.51 1.16 Allowed 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.864 2.376 . . . . 0.0 112.271 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.26 -7.92 27.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -62.86 -31.63 72.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.371 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 pt -64.71 -34.73 71.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -75.18 -33.11 61.42 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.782 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -73.6 -44.3 57.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.819 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.7 -42.23 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.621 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.24 -51.29 64.39 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -58.71 -39.84 81.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.216 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.72 -45.36 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.47 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.97 -48.13 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.71 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.06 -26.35 68.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.0 t -70.74 -44.72 66.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.33 -30.34 67.28 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.7 -32.77 53.18 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.139 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -67.02 -47.39 71.59 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.77 -28.0 64.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.03 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.8 mmm -61.62 -55.65 28.38 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.116 0.484 . . . . 0.0 110.575 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.1 96.73 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.285 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -48.6 79.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.442 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.9 m -55.27 -45.64 76.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.55 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.096 0.474 . . . . 0.0 111.023 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.08 -47.64 90.03 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -63.36 -38.2 90.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.871 0.367 . . . . 0.0 110.482 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.95 -37.66 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.023 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 pm0 -92.23 33.41 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.666 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.7 mt 64.62 -82.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.226 0 O-C-N 123.674 0.609 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.14 27.91 0.11 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.761 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptt? . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -80.38 130.58 35.27 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.543 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -101.77 116.41 63.44 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.37 -39.52 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.932 2.421 . . . . 0.0 112.378 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.17 -8.17 29.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.85 72.73 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.258 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 pt -64.61 -34.59 70.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -75.17 -33.15 61.43 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.971 0.415 . . . . 0.0 110.792 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.8 t -73.46 -44.44 58.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.721 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mm -64.61 -42.11 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.639 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.28 -51.46 63.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 90.6 p -58.71 -39.94 82.25 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.16 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.43 -45.62 93.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.72 -48.11 89.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.05 -26.77 68.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.2 t -70.53 -44.75 66.89 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.029 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.61 67.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.764 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.79 -32.58 52.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.182 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.18 -47.59 70.5 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.311 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.5 -28.19 64.77 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.105 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 22.6 mmm -61.53 -55.46 30.68 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.068 0.461 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.24 97.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.342 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.388 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -55.12 -46.01 75.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.01 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.21 -40.54 89.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.207 0.527 . . . . 0.0 111.025 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.85 -47.74 89.5 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -63.22 -38.43 91.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.76 -37.59 84.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.93 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.04 0.448 . . . . 0.0 110.615 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -92.25 33.42 1.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.5 mt 64.74 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 123.551 0.532 . . . . 0.0 110.669 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.0 27.31 0.12 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.678 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -80.75 130.61 35.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.486 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -101.85 116.09 63.84 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.752 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.11 -39.34 1.2 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.932 2.421 . . . . 0.0 112.305 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.51 -7.84 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.85 -31.62 72.68 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.403 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 pt -64.84 -34.4 70.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.43 -32.81 60.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.046 0.451 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -73.88 -44.05 56.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.79 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mm -65.09 -41.99 93.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 67.0 m -64.29 -51.26 64.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.978 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -59.11 -39.49 82.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.277 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.93 -45.04 96.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.56 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.28 -47.98 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.17 -26.17 68.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.661 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -71.06 -44.43 65.77 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.005 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -30.24 66.69 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.72 -32.98 53.19 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -66.71 -47.71 71.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.292 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.55 -27.91 64.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.107 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 23.2 mmm -61.59 -55.55 29.56 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.085 0.469 . . . . 0.0 110.625 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.07 96.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.231 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.45 79.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.443 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.61 -45.57 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.035 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.42 -40.8 90.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.143 0.497 . . . . 0.0 111.095 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.0 88.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -63.07 -38.01 89.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.16 -37.77 84.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.11 120.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.682 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.24 33.39 1.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.649 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt 64.75 -82.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 O-C-N 123.606 0.566 . . . . 0.0 110.623 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -161.95 27.32 0.12 Allowed 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.649 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 17.8 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -81.38 130.19 34.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.62 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -101.46 115.84 64.45 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.72 -39.71 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.802 2.334 . . . . 0.0 112.4 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -67.01 -8.23 28.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -62.57 -31.8 72.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.21 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 pt -64.73 -34.32 69.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.576 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 tp -75.42 -32.92 60.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.043 0.449 . . . . 0.0 110.78 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 39.3 t -73.81 -44.4 55.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 mm -64.46 -42.5 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.575 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 67.5 m -64.06 -51.25 65.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -58.78 -39.93 82.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.257 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.58 -45.64 93.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.65 -48.15 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.07 -26.2 68.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.672 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 43.0 t -71.05 -44.72 65.22 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.6 67.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.47 -32.89 54.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.105 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.08 -47.32 71.59 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.367 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -70.51 -28.42 64.94 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.107 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmm -61.4 -55.49 30.87 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.237 0.542 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.98 96.26 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -48.5 80.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.364 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 96.8 m -55.51 -45.62 77.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.94 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.33 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.304 0.574 . . . . 0.0 111.002 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.96 88.42 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -63.3 -38.08 89.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.871 0.367 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.96 -38.01 85.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.41 120.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -92.42 33.63 1.1 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt 64.48 -82.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.627 0.579 . . . . 0.0 110.629 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -162.42 27.77 0.11 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.659 179.781 . . . . . . . . 0 0 . 1 stop_ save_